N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride

C13H26ClN3O2 — CID 119317958

IUPACN-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)CCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)16-11(17)6-8-15-12(18)10-5-4-7-14-9-10;/h10,14H,4-9H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyACUTUWWWJFHIIK-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.83
Rot. Bonds4

About N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride

N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119317958) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119317958
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)CCNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2,3)16-11(17)6-8-15-12(18)10-5-4-7-14-9-10;/h10,14H,4-9H2,1-3H3,(H,15,18)(H,16,17);1H
InChIKeyACUTUWWWJFHIIK-UHFFFAOYSA-N
XLogP0.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride 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

(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123823
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-(2-ethylsulfonylethyl)piperidine-3-carboxamide;hydrochloride
CID 119317688
N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119310932
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
CID 81141597
(3S)-N-[3-(diethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 81124971
N-(3-cyclohexylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119289858
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119280390
(3S)-N-[2-(dimethylcarbamoylamino)ethyl]piperidine-3-carboxamide
CID 83111640
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride (CID 119317958) is N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride is CC(C)(C)NC(=O)CCNC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is ACUTUWWWJFHIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-13(2,3)16-11(17)6-8-15-12(18)10-5-4-7-14-9-10;/h10,14H,4-9H2,1-3H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119317958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).