4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide

C20H25N5O2 — CID 97038502

IUPAC4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccncc1
InChIInChI=1S/C20H25N5O2/c1-16(19(26)23-18-7-9-21-10-8-18)22-20(27)25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,22,27)(H,21,23,26)/t16-/m1/s1
InChIKeyHTUICLSSYIEBGY-MRXNPFEDSA-N
MW367.45 g/mol
LogP1.94
Rot. Bonds5

About 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide

4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide (PubChem CID 97038502) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
PubChem CID97038502
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccncc1
InChIInChI=1S/C20H25N5O2/c1-16(19(26)23-18-7-9-21-10-8-18)22-20(27)25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,22,27)(H,21,23,26)/t16-/m1/s1
InChIKeyHTUICLSSYIEBGY-MRXNPFEDSA-N
XLogP1.94
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-4-benzylpiperazine-1-carboxamide
CID 71829663
4-benzyl-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829739
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899872
4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829832
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52900101
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide
CID 118761775
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 95152739
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide (CID 97038502) is 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccncc1.
What is the InChIKey of 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is HTUICLSSYIEBGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-16(19(26)23-18-7-9-21-10-8-18)22-20(27)25-13-11-24(12-14-25)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,22,27)(H,21,23,26)/t16-/m1/s1.
What are the key properties of 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide?
4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 97038502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).