N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide

C25H37N5O4 — CID 4979381

IUPACN-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)C1(c2ccccc2)CCNCC1)C(=O)NCC(N)=O
InChIInChI=1S/C25H37N5O4/c1-17(2)15-19(22(32)28-16-21(26)31)29-23(33)20-9-6-14-30(20)24(34)25(10-12-27-13-11-25)18-7-4-3-5-8-18/h3-5,7-8,17,19-20,27H,6,9-16H2,1-2H3,(H2,26,31)(H,28,32)(H,29,33)
InChIKeyXPZBRTPFQVKDKU-UHFFFAOYSA-N
MW471.60 g/mol
LogP0.43
Rot. Bonds9

About N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide

N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 4979381) has the molecular formula C25H37N5O4 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID4979381
Molecular FormulaC25H37N5O4
Molecular Weight471.60 g/mol
Exact Mass471.28
IUPAC NameN-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(NC(=O)C1CCCN1C(=O)C1(c2ccccc2)CCNCC1)C(=O)NCC(N)=O
InChIInChI=1S/C25H37N5O4/c1-17(2)15-19(22(32)28-16-21(26)31)29-23(33)20-9-6-14-30(20)24(34)25(10-12-27-13-11-25)18-7-4-3-5-8-18/h3-5,7-8,17,19-20,27H,6,9-16H2,1-2H3,(H2,26,31)(H,28,32)(H,29,33)
InChIKeyXPZBRTPFQVKDKU-UHFFFAOYSA-N
XLogP0.43
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 175704313
benzyl 2-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate
CID 4528753
1-[2-[[4-methyl-2-[[1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 3269786
2-[[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 18300203
prop-2-enyl 2-[[(2S)-4-methyl-2-[[(2R)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetate
CID 134866345
prop-2-enyl 2-[[(2S)-4-methyl-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetate
CID 10972509
2-[[2-[[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 18750893
(2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 101140521
(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 53262692
2-[[1-[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 22703536
2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 18238397
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)(15N)amino]-4-methyl-1-oxo(113C)pentan-2-yl]pyrrolidine-2-carboxamide
CID 10266003

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide (CID 4979381) is N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide is CC(C)CC(NC(=O)C1CCCN1C(=O)C1(c2ccccc2)CCNCC1)C(=O)NCC(N)=O.
What is the InChIKey of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is XPZBRTPFQVKDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O4/c1-17(2)15-19(22(32)28-16-21(26)31)29-23(33)20-9-6-14-30(20)24(34)25(10-12-27-13-11-25)18-7-4-3-5-8-18/h3-5,7-8,17,19-20,27H,6,9-16H2,1-2H3,(H2,26,31)(H,28,32)(H,29,33).
What are the key properties of N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 0.43, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-(4-phenylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4979381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).