N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

C19H35Cl2N5O — CID 120938113

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCN(C)C1(CNC(=O)C2(n3cccn3)CCNCC2)CCCCCC1.Cl.Cl
InChIInChI=1S/C19H33N5O.2ClH/c1-23(2)18(8-5-3-4-6-9-18)16-21-17(25)19(10-13-20-14-11-19)24-15-7-12-22-24;;/h7,12,15,20H,3-6,8-11,13-14,16H2,1-2H3,(H,21,25);2*1H
InChIKeyUXQFSHFWZIOEBD-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.58
Rot. Bonds5

About N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120938113) has the molecular formula C19H35Cl2N5O and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120938113
Molecular FormulaC19H35Cl2N5O
Molecular Weight420.43 g/mol
Exact Mass419.22
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCN(C)C1(CNC(=O)C2(n3cccn3)CCNCC2)CCCCCC1.Cl.Cl
InChIInChI=1S/C19H33N5O.2ClH/c1-23(2)18(8-5-3-4-6-9-18)16-21-17(25)19(10-13-20-14-11-19)24-15-7-12-22-24;;/h7,12,15,20H,3-6,8-11,13-14,16H2,1-2H3,(H,21,25);2*1H
InChIKeyUXQFSHFWZIOEBD-UHFFFAOYSA-N
XLogP2.58
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937895
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918503
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120933221
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927856
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120937238
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936238
N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937231
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935930
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 120938113) is N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is CN(C)C1(CNC(=O)C2(n3cccn3)CCNCC2)CCCCCC1.Cl.Cl.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is UXQFSHFWZIOEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.2ClH/c1-23(2)18(8-5-3-4-6-9-18)16-21-17(25)19(10-13-20-14-11-19)24-15-7-12-22-24;;/h7,12,15,20H,3-6,8-11,13-14,16H2,1-2H3,(H,21,25);2*1H.
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120938113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).