(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride

C16H32ClN3O — CID 120634721

IUPAC(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)N1CCCC(CNC(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12(2)19-8-4-5-14(11-19)10-18-16(20)15-6-7-17-13(3)9-15;/h12-15,17H,4-11H2,1-3H3,(H,18,20);1H/t13-,14?,15-;/m0./s1
InChIKeyCCDBVUBFQVWAOD-LLENVHRFSA-N
MW317.91 g/mol
LogP2.03
Rot. Bonds4

About (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120634721) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120634721
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)N1CCCC(CNC(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12(2)19-8-4-5-14(11-19)10-18-16(20)15-6-7-17-13(3)9-15;/h12-15,17H,4-11H2,1-3H3,(H,18,20);1H/t13-,14?,15-;/m0./s1
InChIKeyCCDBVUBFQVWAOD-LLENVHRFSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 106739669
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120634827
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958
(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120645262
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide
CID 107295958
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 75418999
4-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 62806250

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120634721) is (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride is CC(C)N1CCCC(CNC(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is CCDBVUBFQVWAOD-LLENVHRFSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-12(2)19-8-4-5-14(11-19)10-18-16(20)15-6-7-17-13(3)9-15;/h12-15,17H,4-11H2,1-3H3,(H,18,20);1H/t13-,14?,15-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).