N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride

C15H26ClN3O2 — CID 120622961

IUPACN-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)NC2CC2)CCN1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-10-9-11(6-7-16-10)15(20)18-8-2-3-13(18)14(19)17-12-4-5-12;/h10-13,16H,2-9H2,1H3,(H,17,19);1H/t10-,11-,13?;/m0./s1
InChIKeyCHLWSAHMBGALEC-PVYQBTFISA-N
MW315.85 g/mol
LogP1.07
Rot. Bonds3

About N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride

N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120622961) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120622961
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC NameN-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)NC2CC2)CCN1.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-10-9-11(6-7-16-10)15(20)18-8-2-3-13(18)14(19)17-12-4-5-12;/h10-13,16H,2-9H2,1H3,(H,17,19);1H/t10-,11-,13?;/m0./s1
InChIKeyCHLWSAHMBGALEC-PVYQBTFISA-N
XLogP1.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120623358
1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119728127
(2S)-N-cyclopropyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93369523
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120635830
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide
CID 82908203
(2S,4S)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 120637437
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
N-(1-cyclopropylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106739107

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120622961) is N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)N2CCCC2C(=O)NC2CC2)CCN1.Cl.
What is the InChIKey of N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is CHLWSAHMBGALEC-PVYQBTFISA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c1-10-9-11(6-7-16-10)15(20)18-8-2-3-13(18)14(19)17-12-4-5-12;/h10-13,16H,2-9H2,1H3,(H,17,19);1H/t10-,11-,13?;/m0./s1.
What are the key properties of N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120622961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).