N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride

C18H31ClN6O2 — CID 120923593

IUPACN,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1.Cl
InChIInChI=1S/C18H30N6O2.ClH/c1-3-21(4-2)17(26)23-14-12-22(13-15-23)16(25)18(6-9-19-10-7-18)24-11-5-8-20-24;/h5,8,11,19H,3-4,6-7,9-10,12-15H2,1-2H3;1H
InChIKeyJUZRARNQQGKVMC-UHFFFAOYSA-N
MW398.94 g/mol
LogP0.99
Rot. Bonds4

About N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride

N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 120923593) has the molecular formula C18H31ClN6O2 and a molecular weight of 398.94 g/mol. Its IUPAC name is N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
PubChem CID120923593
Molecular FormulaC18H31ClN6O2
Molecular Weight398.94 g/mol
Exact Mass398.22
IUPAC NameN,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1.Cl
InChIInChI=1S/C18H30N6O2.ClH/c1-3-21(4-2)17(26)23-14-12-22(13-15-23)16(25)18(6-9-19-10-7-18)24-11-5-8-20-24;/h5,8,11,19H,3-4,6-7,9-10,12-15H2,1-2H3;1H
InChIKeyJUZRARNQQGKVMC-UHFFFAOYSA-N
XLogP0.99
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride with MolForge

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Related Compounds

(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide
CID 120942451
phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120918643
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938714
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride (CID 120923593) is N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride is CCN(CC)C(=O)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1.Cl.
What is the InChIKey of N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is JUZRARNQQGKVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2.ClH/c1-3-21(4-2)17(26)23-14-12-22(13-15-23)16(25)18(6-9-19-10-7-18)24-11-5-8-20-24;/h5,8,11,19H,3-4,6-7,9-10,12-15H2,1-2H3;1H.
What are the key properties of N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride?
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120923593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).