(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride

C13H26ClN3O2 — CID 119737566

IUPAC(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-10(2)16-12(17)7-9-15-13(18)11-6-4-5-8-14-11;/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17);1H/t10?,11-;/m1./s1
InChIKeyJBHVBBDJTKGXSZ-PSDUUTOMSA-N
MW291.82 g/mol
LogP0.97
Rot. Bonds6

About (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride

(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119737566) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119737566
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-3-10(2)16-12(17)7-9-15-13(18)11-6-4-5-8-14-11;/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17);1H/t10?,11-;/m1./s1
InChIKeyJBHVBBDJTKGXSZ-PSDUUTOMSA-N
XLogP0.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 54901064
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 103809553
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 54901063
(2S)-N-(3-hydroxypentyl)piperidine-2-carboxamide
CID 103810229
(2R)-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103795515
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914026
(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119789194
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride (CID 119737566) is (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride is CCC(C)NC(=O)CCNC(=O)[C@H]1CCCCN1.Cl.
What is the InChIKey of (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is JBHVBBDJTKGXSZ-PSDUUTOMSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-3-10(2)16-12(17)7-9-15-13(18)11-6-4-5-8-14-11;/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17);1H/t10?,11-;/m1./s1.
What are the key properties of (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119737566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).