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

C16H29Cl2N5O — CID 120940896

IUPACN-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1(n2cccn2)CCNCC1)C1CC1.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-2-20(14-4-5-14)13-11-18-15(22)16(6-9-17-10-7-16)21-12-3-8-19-21;;/h3,8,12,14,17H,2,4-7,9-11,13H2,1H3,(H,18,22);2*1H
InChIKeyOLAIMWWXOZIKPQ-UHFFFAOYSA-N
MW378.35 g/mol
LogP1.41
Rot. Bonds7

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

N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120940896) has the molecular formula C16H29Cl2N5O and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120940896
Molecular FormulaC16H29Cl2N5O
Molecular Weight378.35 g/mol
Exact Mass377.17
IUPAC NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1(n2cccn2)CCNCC1)C1CC1.Cl.Cl
InChIInChI=1S/C16H27N5O.2ClH/c1-2-20(14-4-5-14)13-11-18-15(22)16(6-9-17-10-7-16)21-12-3-8-19-21;;/h3,8,12,14,17H,2,4-7,9-11,13H2,1H3,(H,18,22);2*1H
InChIKeyOLAIMWWXOZIKPQ-UHFFFAOYSA-N
XLogP1.41
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120942485
N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919424
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
N-[(2-methylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924383
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 120940896) is N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is CCN(CCNC(=O)C1(n2cccn2)CCNCC1)C1CC1.Cl.Cl.
What is the InChIKey of N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is OLAIMWWXOZIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.2ClH/c1-2-20(14-4-5-14)13-11-18-15(22)16(6-9-17-10-7-16)21-12-3-8-19-21;;/h3,8,12,14,17H,2,4-7,9-11,13H2,1H3,(H,18,22);2*1H.
What are the key properties of N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride?
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 378.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120940896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).