1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide

C19H22N4O2 — CID 122261947

IUPAC1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C19H22N4O2/c1-14(24)23-9-7-16(8-10-23)19(25)20-12-17-11-18(22-13-21-17)15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3,(H,20,25)
InChIKeyDNKAZFFDZLMDGD-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.02
Rot. Bonds4

About 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 122261947) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide
PubChem CID122261947
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C19H22N4O2/c1-14(24)23-9-7-16(8-10-23)19(25)20-12-17-11-18(22-13-21-17)15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3,(H,20,25)
InChIKeyDNKAZFFDZLMDGD-UHFFFAOYSA-N
XLogP2.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide
CID 122262943
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]cyclohexanecarboxamide
CID 122262450
1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 90518968
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037
1-(3-methoxyphenyl)-5-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxamide
CID 122261972
1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062051
1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 110666323
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 122262568

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide (CID 122261947) is 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is DNKAZFFDZLMDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(24)23-9-7-16(8-10-23)19(25)20-12-17-11-18(22-13-21-17)15-5-3-2-4-6-15/h2-6,11,13,16H,7-10,12H2,1H3,(H,20,25).
What are the key properties of 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 122261947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).