(3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide

C19H29N3O2 — CID 100835643

IUPAC(3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide
SMILESCC(C)[C@H](N[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-13(2)17(15-8-5-4-6-9-15)21-14(3)19(24)22-11-7-10-16(12-22)18(20)23/h4-6,8-9,13-14,16-17,21H,7,10-12H2,1-3H3,(H2,20,23)/t14-,16+,17-/m0/s1
InChIKeyAXTRYGPCRBVIFF-UAGQMJEPSA-N
MW331.46 g/mol
LogP2.09
Rot. Bonds6

About (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide

(3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide (PubChem CID 100835643) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide
PubChem CID100835643
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide
SMILESCC(C)[C@H](N[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1
InChIInChI=1S/C19H29N3O2/c1-13(2)17(15-8-5-4-6-9-15)21-14(3)19(24)22-11-7-10-16(12-22)18(20)23/h4-6,8-9,13-14,16-17,21H,7,10-12H2,1-3H3,(H2,20,23)/t14-,16+,17-/m0/s1
InChIKeyAXTRYGPCRBVIFF-UAGQMJEPSA-N
XLogP2.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
(3S)-1-[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266561
(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266562
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32715892
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide (CID 100835643) is (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide is CC(C)[C@H](N[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1.
What is the InChIKey of (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide?
The InChIKey is AXTRYGPCRBVIFF-UAGQMJEPSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)17(15-8-5-4-6-9-15)21-14(3)19(24)22-11-7-10-16(12-22)18(20)23/h4-6,8-9,13-14,16-17,21H,7,10-12H2,1-3H3,(H2,20,23)/t14-,16+,17-/m0/s1.
What are the key properties of (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide?
(3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 100835643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).