N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C18H29N5O3 — CID 118773067

IUPACN-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCCN2CCCC(C(N)=O)C2)nc(=O)[nH]1
InChIInChI=1S/C18H29N5O3/c1-12(2)9-14-10-15(22-18(26)21-14)17(25)20-6-4-8-23-7-3-5-13(11-23)16(19)24/h10,12-13H,3-9,11H2,1-2H3,(H2,19,24)(H,20,25)(H,21,22,26)
InChIKeyAZPMNDFJHIRRAS-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.29
Rot. Bonds8

About N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 118773067) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID118773067
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCCN2CCCC(C(N)=O)C2)nc(=O)[nH]1
InChIInChI=1S/C18H29N5O3/c1-12(2)9-14-10-15(22-18(26)21-14)17(25)20-6-4-8-23-7-3-5-13(11-23)16(19)24/h10,12-13H,3-9,11H2,1-2H3,(H2,19,24)(H,20,25)(H,21,22,26)
InChIKeyAZPMNDFJHIRRAS-UHFFFAOYSA-N
XLogP0.29
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 118773067) is N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NCCCN2CCCC(C(N)=O)C2)nc(=O)[nH]1.
What is the InChIKey of N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is AZPMNDFJHIRRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-12(2)9-14-10-15(22-18(26)21-14)17(25)20-6-4-8-23-7-3-5-13(11-23)16(19)24/h10,12-13H,3-9,11H2,1-2H3,(H2,19,24)(H,20,25)(H,21,22,26).
What are the key properties of N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-carbamoylpiperidin-1-yl)propyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 118773067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).