N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

C21H25FN4O2 — CID 52899407

IUPACN-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1F
InChIInChI=1S/C21H25FN4O2/c1-16(20(27)23-15-17-7-5-6-10-19(17)22)24-21(28)26-13-11-25(12-14-26)18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3,(H,23,27)(H,24,28)/t16-/m0/s1
InChIKeyNFYXYYZJRZEUPA-INIZCTEOSA-N
MW384.46 g/mol
LogP2.36
Rot. Bonds5

About N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 52899407) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID52899407
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1F
InChIInChI=1S/C21H25FN4O2/c1-16(20(27)23-15-17-7-5-6-10-19(17)22)24-21(28)26-13-11-25(12-14-26)18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3,(H,23,27)(H,24,28)/t16-/m0/s1
InChIKeyNFYXYYZJRZEUPA-INIZCTEOSA-N
XLogP2.36
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 96564267
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 94975757
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53370060
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897823
4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 95395325
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52897953
N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113107500
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 119069802
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (CID 52899407) is N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is NFYXYYZJRZEUPA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-16(20(27)23-15-17-7-5-6-10-19(17)22)24-21(28)26-13-11-25(12-14-26)18-8-3-2-4-9-18/h2-10,16H,11-15H2,1H3,(H,23,27)(H,24,28)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 52899407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).