N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride

C17H32ClN3O2 — CID 119534348

IUPACN-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCC(CC(=O)NCCC1CCNC1)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-13(20-17(22)15-5-3-2-4-6-15)11-16(21)19-10-8-14-7-9-18-12-14;/h13-15,18H,2-12H2,1H3,(H,19,21)(H,20,22);1H
InChIKeySCPWLAXCTKFEHU-UHFFFAOYSA-N
MW345.92 g/mol
LogP2.00
Rot. Bonds7

About N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119534348) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID119534348
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC NameN-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCC(CC(=O)NCCC1CCNC1)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-13(20-17(22)15-5-3-2-4-6-15)11-16(21)19-10-8-14-7-9-18-12-14;/h13-15,18H,2-12H2,1H3,(H,19,21)(H,20,22);1H
InChIKeySCPWLAXCTKFEHU-UHFFFAOYSA-N
XLogP2.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
CID 119453661
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111460537
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119394023
N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide
CID 62587221
3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
CID 122080536
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317
N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119554091

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 119534348) is N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride is CC(CC(=O)NCCC1CCNC1)NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is SCPWLAXCTKFEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-13(20-17(22)15-5-3-2-4-6-15)11-16(21)19-10-8-14-7-9-18-12-14;/h13-15,18H,2-12H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119534348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).