N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide

C17H34N4O — CID 113106139

IUPACN-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCN(C)CCCN1CCN(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C17H34N4O/c1-19(2)10-7-11-20-12-14-21(15-13-20)17(22)18-16-8-5-3-4-6-9-16/h16H,3-15H2,1-2H3,(H,18,22)
InChIKeyNCDSPJDLKOPRCZ-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.99
Rot. Bonds5

About N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide

N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide (PubChem CID 113106139) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
PubChem CID113106139
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCN(C)CCCN1CCN(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C17H34N4O/c1-19(2)10-7-11-20-12-14-21(15-13-20)17(22)18-16-8-5-3-4-6-9-16/h16H,3-15H2,1-2H3,(H,18,22)
InChIKeyNCDSPJDLKOPRCZ-UHFFFAOYSA-N
XLogP1.99
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminobutyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
CID 43252425
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895987
methyl 3-[4-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
CID 78973033
3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
N-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 113003723
4-(2-amino-2-methylpropyl)-N-cyclohexylpiperazine-1-carboxamide
CID 120847763
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 78924950
N-cyclobutyl-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 116658505
N-cyclopropyl-4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazine-1-carboxamide
CID 110308563

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide (CID 113106139) is N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide is CN(C)CCCN1CCN(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The InChIKey is NCDSPJDLKOPRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-19(2)10-7-11-20-12-14-21(15-13-20)17(22)18-16-8-5-3-4-6-9-16/h16H,3-15H2,1-2H3,(H,18,22).
What are the key properties of N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).