N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride

C16H23Cl2N3O — CID 169490415

IUPACN-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(Cl)c1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H22ClN3O.ClH/c17-13-2-1-3-14(12-13)19-15(21)20-10-6-16(7-11-20)4-8-18-9-5-16;/h1-3,12,18H,4-11H2,(H,19,21);1H
InChIKeyNQWKVIVRDYBSMM-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.76
Rot. Bonds1

About N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride

N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride (PubChem CID 169490415) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride
PubChem CID169490415
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC NameN-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(Cl)c1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H22ClN3O.ClH/c17-13-2-1-3-14(12-13)19-15(21)20-10-6-16(7-11-20)4-8-18-9-5-16;/h1-3,12,18H,4-11H2,(H,19,21);1H
InChIKeyNQWKVIVRDYBSMM-UHFFFAOYSA-N
XLogP3.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803
N-(3-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490453
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
1-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63145655
N-(3-chlorophenyl)-4-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxamide
CID 23072023
N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90899822
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
3-[2-(3-chloroanilino)-2-oxoethyl]-N-(3-chlorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4296396
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride (CID 169490415) is N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(Cl)c1)N1CCC2(CCNCC2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride?
The InChIKey is NQWKVIVRDYBSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O.ClH/c17-13-2-1-3-14(12-13)19-15(21)20-10-6-16(7-11-20)4-8-18-9-5-16;/h1-3,12,18H,4-11H2,(H,19,21);1H.
What are the key properties of N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride?
N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride has a molecular weight of 344.29 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride is sourced from PubChem (CID 169490415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).