N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C18H32N6O — CID 120942485

IUPACN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C1CCN(CCNC(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C18H32N6O/c1-22(2)16-4-13-23(14-5-16)15-11-20-17(25)18(6-9-19-10-7-18)24-12-3-8-21-24/h3,8,12,16,19H,4-7,9-11,13-15H2,1-2H3,(H,20,25)
InChIKeyISMCOLVOQIECKM-UHFFFAOYSA-N
MW348.50 g/mol
LogP0.10
Rot. Bonds6

About N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120942485) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120942485
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC NameN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C1CCN(CCNC(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C18H32N6O/c1-22(2)16-4-13-23(14-5-16)15-11-20-17(25)18(6-9-19-10-7-18)24-12-3-8-21-24/h3,8,12,16,19H,4-7,9-11,13-15H2,1-2H3,(H,20,25)
InChIKeyISMCOLVOQIECKM-UHFFFAOYSA-N
XLogP0.10
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937758
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940896
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939140
N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939906
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937895
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930129
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921332
N-[(2-methylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924383

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120942485) is N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CN(C)C1CCN(CCNC(=O)C2(n3cccn3)CCNCC2)CC1.
What is the InChIKey of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ISMCOLVOQIECKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O/c1-22(2)16-4-13-23(14-5-16)15-11-20-17(25)18(6-9-19-10-7-18)24-12-3-8-21-24/h3,8,12,16,19H,4-7,9-11,13-15H2,1-2H3,(H,20,25).
What are the key properties of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 348.50 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120942485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).