(4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone

C10H13ClN4O — CID 134408078

IUPAC(4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone
SMILESNC1CCN(C(=O)c2cc(Cl)ncn2)CC1
InChIInChI=1S/C10H13ClN4O/c11-9-5-8(13-6-14-9)10(16)15-3-1-7(12)2-4-15/h5-7H,1-4,12H2
InChIKeyHFFLTJXYPIRTDQ-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.69
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone

(4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone (PubChem CID 134408078) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone
PubChem CID134408078
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name(4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone
SMILESNC1CCN(C(=O)c2cc(Cl)ncn2)CC1
InChIInChI=1S/C10H13ClN4O/c11-9-5-8(13-6-14-9)10(16)15-3-1-7(12)2-4-15/h5-7H,1-4,12H2
InChIKeyHFFLTJXYPIRTDQ-UHFFFAOYSA-N
XLogP0.69
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone 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

6-Chloropyrimidine-4-carboxamide
CID 12863347
4-(2,6-Dichloropyrimidine-4-carbonyl)morpholine
CID 155973292
2,6-dichloro-N-(cyclopropylmethyl)pyrimidine-4-carboxamide
CID 145998135
2,6-dichloro-N-(prop-2-yn-1-yl)pyrimidine-4-carboxamide
CID 145998137
6-(piperidin-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628643
N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 132361355
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 87124785
2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 121409424
2-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 155612825
2-chloro-N-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide
CID 162526842
2-chloro-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]pyrimidine-4-carboxamide
CID 162526958
2-chloro-N-(3-fluoro-1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 166914753

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone (CID 134408078) is (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone is NC1CCN(C(=O)c2cc(Cl)ncn2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone?
The InChIKey is HFFLTJXYPIRTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-9-5-8(13-6-14-9)10(16)15-3-1-7(12)2-4-15/h5-7H,1-4,12H2.
What are the key properties of (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone?
(4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(6-chloropyrimidin-4-yl)methanone is sourced from PubChem (CID 134408078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).