N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

C14H27Cl2N5O — CID 120940230

IUPACN-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCCN(C)CCNC(=O)C1(n2cccn2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H25N5O.2ClH/c1-3-18(2)12-10-16-13(20)14(5-8-15-9-6-14)19-11-4-7-17-19;;/h4,7,11,15H,3,5-6,8-10,12H2,1-2H3,(H,16,20);2*1H
InChIKeyDLADNPFEKRODPL-UHFFFAOYSA-N
MW352.31 g/mol
LogP0.87
Rot. Bonds6

About N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride

N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120940230) has the molecular formula C14H27Cl2N5O and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120940230
Molecular FormulaC14H27Cl2N5O
Molecular Weight352.31 g/mol
Exact Mass351.16
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCCN(C)CCNC(=O)C1(n2cccn2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H25N5O.2ClH/c1-3-18(2)12-10-16-13(20)14(5-8-15-9-6-14)19-11-4-7-17-19;;/h4,7,11,15H,3,5-6,8-10,12H2,1-2H3,(H,16,20);2*1H
InChIKeyDLADNPFEKRODPL-UHFFFAOYSA-N
XLogP0.87
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940896
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919424
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938113
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120942485
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-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 120940230) is N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is CCN(C)CCNC(=O)C1(n2cccn2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is DLADNPFEKRODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.2ClH/c1-3-18(2)12-10-16-13(20)14(5-8-15-9-6-14)19-11-4-7-17-19;;/h4,7,11,15H,3,5-6,8-10,12H2,1-2H3,(H,16,20);2*1H.
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120940230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).