3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide

C14H21N5O2 — CID 60938311

IUPAC3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide
SMILESNC(=O)CC(N)C(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C14H21N5O2/c15-12(9-13(16)20)14(21)19-7-5-18(6-8-19)10-11-1-3-17-4-2-11/h1-4,12H,5-10,15H2,(H2,16,20)
InChIKeySROOMKDGJKWLFM-UHFFFAOYSA-N
MW291.36 g/mol
LogP-1.07
Rot. Bonds5

About 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide

3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide (PubChem CID 60938311) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound Name3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide
PubChem CID60938311
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide
SMILESNC(=O)CC(N)C(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C14H21N5O2/c15-12(9-13(16)20)14(21)19-7-5-18(6-8-19)10-11-1-3-17-4-2-11/h1-4,12H,5-10,15H2,(H2,16,20)
InChIKeySROOMKDGJKWLFM-UHFFFAOYSA-N
XLogP-1.07
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 103515239
3-amino-4-(4-benzylpiperazin-1-yl)-4-oxobutanoic acid
CID 64896822
5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one
CID 104684308
2-amino-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 69182291
(2S)-2-methylsulfonyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 94027968
1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 60953087
3-amino-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-oxobutanamide;trihydrochloride
CID 119955642
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
3-[4-(2,4-diamino-4-oxobutanoyl)piperazin-1-yl]propanoic acid
CID 61162188
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]butane-1,4-dione
CID 53466121
1-[(2R)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]pyrrolidin-2-one
CID 95302662
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide?
The IUPAC name of 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide (CID 60938311) is 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide.
What is the SMILES notation for 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide?
The canonical SMILES for 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide is NC(=O)CC(N)C(=O)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide?
The InChIKey is SROOMKDGJKWLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-12(9-13(16)20)14(21)19-7-5-18(6-8-19)10-11-1-3-17-4-2-11/h1-4,12H,5-10,15H2,(H2,16,20).
What are the key properties of 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide?
3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide has a molecular weight of 291.36 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 60938311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).