(2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide

C16H31N3O — CID 119863487

IUPAC(2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCC1CC(C)CN(CC(C)NC(=O)[C@H]2CCCCN2)C1
InChIInChI=1S/C16H31N3O/c1-12-8-13(2)10-19(9-12)11-14(3)18-16(20)15-6-4-5-7-17-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)/t12?,13?,14?,15-/m1/s1
InChIKeyACIGDJFYWXGQFR-MLGYPOCJSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds4

About (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide

(2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide (PubChem CID 119863487) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
PubChem CID119863487
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
SMILESCC1CC(C)CN(CC(C)NC(=O)[C@H]2CCCCN2)C1
InChIInChI=1S/C16H31N3O/c1-12-8-13(2)10-19(9-12)11-14(3)18-16(20)15-6-4-5-7-17-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)/t12?,13?,14?,15-/m1/s1
InChIKeyACIGDJFYWXGQFR-MLGYPOCJSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119863514
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 119863481
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119863559
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119789194
(2R)-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103812007
N-(4-methylsulfanylbutan-2-yl)azocane-2-carboxamide
CID 114240218
(2R)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-2-carboxamide
CID 113266351
5-(azepane-2-carbonylamino)hexanoic acid
CID 82844956
methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide (CID 119863487) is (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide is CC1CC(C)CN(CC(C)NC(=O)[C@H]2CCCCN2)C1.
What is the InChIKey of (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide?
The InChIKey is ACIGDJFYWXGQFR-MLGYPOCJSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-8-13(2)10-19(9-12)11-14(3)18-16(20)15-6-4-5-7-17-15/h12-15,17H,4-11H2,1-3H3,(H,18,20)/t12?,13?,14?,15-/m1/s1.
What are the key properties of (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide?
(2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 119863487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).