N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride

C10H16Cl2N4O — CID 50988436

IUPACN-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ncccn1)C1CCNCC1
InChIInChI=1S/C10H14N4O.2ClH/c15-9(8-2-6-11-7-3-8)14-10-12-4-1-5-13-10;;/h1,4-5,8,11H,2-3,6-7H2,(H,12,13,14,15);2*1H
InChIKeyZOZKXBCQYOMYQF-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.26
Rot. Bonds2

About N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride

N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 50988436) has the molecular formula C10H16Cl2N4O and a molecular weight of 279.17 g/mol. Its IUPAC name is N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID50988436
Molecular FormulaC10H16Cl2N4O
Molecular Weight279.17 g/mol
Exact Mass278.07
IUPAC NameN-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ncccn1)C1CCNCC1
InChIInChI=1S/C10H14N4O.2ClH/c15-9(8-2-6-11-7-3-8)14-10-12-4-1-5-13-10;;/h1,4-5,8,11H,2-3,6-7H2,(H,12,13,14,15);2*1H
InChIKeyZOZKXBCQYOMYQF-UHFFFAOYSA-N
XLogP1.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride (CID 50988436) is N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ncccn1)C1CCNCC1.
What is the InChIKey of N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is ZOZKXBCQYOMYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.2ClH/c15-9(8-2-6-11-7-3-8)14-10-12-4-1-5-13-10;;/h1,4-5,8,11H,2-3,6-7H2,(H,12,13,14,15);2*1H.
What are the key properties of N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride?
N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 279.17 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 50988436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).