N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

C13H20N4O — CID 3224206

IUPACN-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-6-14-12(18)11-4-9-17(10-5-11)13-15-7-3-8-16-13/h3,7-8,11H,2,4-6,9-10H2,1H3,(H,14,18)
InChIKeyWXJDKCZLKRFJEI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds4

About N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 3224206) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID3224206
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-6-14-12(18)11-4-9-17(10-5-11)13-15-7-3-8-16-13/h3,7-8,11H,2,4-6,9-10H2,1H3,(H,14,18)
InChIKeyWXJDKCZLKRFJEI-UHFFFAOYSA-N
XLogP1.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propyl-1-pyrimidin-2-ylpiperidine-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

N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 23544069
1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55931675
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111206186
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 40900290
N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107315
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 111428735
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 3224206) is N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is WXJDKCZLKRFJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-6-14-12(18)11-4-9-17(10-5-11)13-15-7-3-8-16-13/h3,7-8,11H,2,4-6,9-10H2,1H3,(H,14,18).
What are the key properties of N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3224206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).