N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide

C17H24N2O2 — CID 18072731

IUPACN-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
SMILESCC(=O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-14(20)12-17(21)18(2)13-15-6-8-16(9-7-15)19-10-4-3-5-11-19/h6-9H,3-5,10-13H2,1-2H3
InChIKeyORCPEEOQWAOFJZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.61
Rot. Bonds5

About N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide

N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide (PubChem CID 18072731) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
PubChem CID18072731
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
SMILESCC(=O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c1-14(20)12-17(21)18(2)13-15-6-8-16(9-7-15)19-10-4-3-5-11-19/h6-9H,3-5,10-13H2,1-2H3
InChIKeyORCPEEOQWAOFJZ-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide
CID 39490122
N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 34470185
3,5-dimethyl-N-[2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551977
2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 61254395
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 34470758
(3R)-3-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 41303482
3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 47040746
2-[[ethylamino-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111414530
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552043
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55416112

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
The IUPAC name of N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide (CID 18072731) is N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
The canonical SMILES for N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide is CC(=O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
The InChIKey is ORCPEEOQWAOFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14(20)12-17(21)18(2)13-15-6-8-16(9-7-15)19-10-4-3-5-11-19/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 18072731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).