4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide

C17H25N3O2 — CID 92925458

IUPAC4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
SMILESCc1ccc(CNC(=O)CCC(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-2-4-14(5-3-13)12-19-16(21)6-7-17(22)20-10-8-15(18)9-11-20/h2-5,15H,6-12,18H2,1H3,(H,19,21)
InChIKeyNSUAKRQUVAIUMZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.34
Rot. Bonds5

About 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide

4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide (PubChem CID 92925458) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
PubChem CID92925458
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
SMILESCc1ccc(CNC(=O)CCC(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-13-2-4-14(5-3-13)12-19-16(21)6-7-17(22)20-10-8-15(18)9-11-20/h2-5,15H,6-12,18H2,1H3,(H,19,21)
InChIKeyNSUAKRQUVAIUMZ-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9473849
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
ethyl 4-[acetyl-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122143
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
3-[(4-methylphenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014305
2-[(4-aminocyclohexyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 79113304
N-[(4-methylphenyl)methyl]butanamide
CID 835678
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018
N-[(4-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943434
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 61235743
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 91907622

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide (CID 92925458) is 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide is Cc1ccc(CNC(=O)CCC(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
The InChIKey is NSUAKRQUVAIUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-2-4-14(5-3-13)12-19-16(21)6-7-17(22)20-10-8-15(18)9-11-20/h2-5,15H,6-12,18H2,1H3,(H,19,21).
What are the key properties of 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide?
4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide has a molecular weight of 303.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 92925458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).