N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride

C19H30ClN3O2S — CID 119589432

IUPACN-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCCCN1C(=O)c1cccs1)C1CCCCC1
InChIInChI=1S/C19H29N3O2S.ClH/c20-13-15(14-7-2-1-3-8-14)21-18(23)16-9-4-5-11-22(16)19(24)17-10-6-12-25-17;/h6,10,12,14-16H,1-5,7-9,11,13,20H2,(H,21,23);1H
InChIKeyOZXNANMBJOAWTE-UHFFFAOYSA-N
MW399.99 g/mol
LogP3.19
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119589432) has the molecular formula C19H30ClN3O2S and a molecular weight of 399.99 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119589432
Molecular FormulaC19H30ClN3O2S
Molecular Weight399.99 g/mol
Exact Mass399.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCCCN1C(=O)c1cccs1)C1CCCCC1
InChIInChI=1S/C19H29N3O2S.ClH/c20-13-15(14-7-2-1-3-8-14)21-18(23)16-9-4-5-11-22(16)19(24)17-10-6-12-25-17;/h6,10,12,14-16H,1-5,7-9,11,13,20H2,(H,21,23);1H
InChIKeyOZXNANMBJOAWTE-UHFFFAOYSA-N
XLogP3.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 97185302
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119588926
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 136580816
N-(1-aminohexan-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 119668412
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
N-(4-hydroxycyclohexyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844706
N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 112827070
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride (CID 119589432) is N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1CCCCN1C(=O)c1cccs1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is OZXNANMBJOAWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S.ClH/c20-13-15(14-7-2-1-3-8-14)21-18(23)16-9-4-5-11-22(16)19(24)17-10-6-12-25-17;/h6,10,12,14-16H,1-5,7-9,11,13,20H2,(H,21,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 399.99 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119589432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).