N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide

C18H30N6O2 — CID 120942451

IUPACN,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide
SMILESCN(C)C(=O)CCN1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C18H30N6O2/c1-21(2)16(25)4-11-22-12-14-23(15-13-22)17(26)18(5-8-19-9-6-18)24-10-3-7-20-24/h3,7,10,19H,4-6,8-9,11-15H2,1-2H3
InChIKeyFZGXLSMVNJNHFT-UHFFFAOYSA-N
MW362.48 g/mol
LogP-0.42
Rot. Bonds5

About N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide

N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide (PubChem CID 120942451) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide
PubChem CID120942451
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide
SMILESCN(C)C(=O)CCN1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C18H30N6O2/c1-21(2)16(25)4-11-22-12-14-23(15-13-22)17(26)18(5-8-19-9-6-18)24-10-3-7-20-24/h3,7,10,19H,4-6,8-9,11-15H2,1-2H3
InChIKeyFZGXLSMVNJNHFT-UHFFFAOYSA-N
XLogP-0.42
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938714
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
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
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
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
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120939296
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide (CID 120942451) is N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide is CN(C)C(=O)CCN1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is FZGXLSMVNJNHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-21(2)16(25)4-11-22-12-14-23(15-13-22)17(26)18(5-8-19-9-6-18)24-10-3-7-20-24/h3,7,10,19H,4-6,8-9,11-15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide?
N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 362.48 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 120942451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).