(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride

C15H25Cl2N5O — CID 119857927

IUPAC(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCN(c2ncccn2)C1)[C@@H]1CCCCN1
InChIInChI=1S/C15H23N5O.2ClH/c21-14(13-6-1-2-7-16-13)19-12-5-3-10-20(11-12)15-17-8-4-9-18-15;;/h4,8-9,12-13,16H,1-3,5-7,10-11H2,(H,19,21);2*1H/t12?,13-;;/m0../s1
InChIKeyYWLKSPKTCODZSB-RIWFDJIXSA-N
MW362.31 g/mol
LogP1.55
Rot. Bonds3

About (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride

(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride (PubChem CID 119857927) has the molecular formula C15H25Cl2N5O and a molecular weight of 362.31 g/mol. Its IUPAC name is (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride
PubChem CID119857927
Molecular FormulaC15H25Cl2N5O
Molecular Weight362.31 g/mol
Exact Mass361.14
IUPAC Name(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCCN(c2ncccn2)C1)[C@@H]1CCCCN1
InChIInChI=1S/C15H23N5O.2ClH/c21-14(13-6-1-2-7-16-13)19-12-5-3-10-20(11-12)15-17-8-4-9-18-15;;/h4,8-9,12-13,16H,1-3,5-7,10-11H2,(H,19,21);2*1H/t12?,13-;;/m0../s1
InChIKeyYWLKSPKTCODZSB-RIWFDJIXSA-N
XLogP1.55
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-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

Related Compounds

(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
5-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolidine-3-carboxamide
CID 52986688
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(1R,2S,4S)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124830296
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
(2R)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119883979
N-cyclopentylazepane-2-carboxamide
CID 64564743
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119884405
4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120939658

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride (CID 119857927) is (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCCN(c2ncccn2)C1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride?
The InChIKey is YWLKSPKTCODZSB-RIWFDJIXSA-N. The full InChI is InChI=1S/C15H23N5O.2ClH/c21-14(13-6-1-2-7-16-13)19-12-5-3-10-20(11-12)15-17-8-4-9-18-15;;/h4,8-9,12-13,16H,1-3,5-7,10-11H2,(H,19,21);2*1H/t12?,13-;;/m0../s1.
What are the key properties of (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride?
(2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride has a molecular weight of 362.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119857927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).