(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone

C19H31N5O — CID 120940661

IUPAC(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCCN(C2CCCC2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H31N5O/c25-18(19(7-10-20-11-8-19)24-14-3-9-21-24)23-13-4-12-22(15-16-23)17-5-1-2-6-17/h3,9,14,17,20H,1-2,4-8,10-13,15-16H2
InChIKeyLRNBNUUJVDYTOS-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.44
Rot. Bonds3

About (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone

(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 120940661) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID120940661
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCCN(C2CCCC2)CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H31N5O/c25-18(19(7-10-20-11-8-19)24-14-3-9-21-24)23-13-4-12-22(15-16-23)17-5-1-2-6-17/h3,9,14,17,20H,1-2,4-8,10-13,15-16H2
InChIKeyLRNBNUUJVDYTOS-UHFFFAOYSA-N
XLogP1.44
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938714
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 120918558
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide
CID 120932432
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933196

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 120940661) is (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone is O=C(N1CCCN(C2CCCC2)CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is LRNBNUUJVDYTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c25-18(19(7-10-20-11-8-19)24-14-3-9-21-24)23-13-4-12-22(15-16-23)17-5-1-2-6-17/h3,9,14,17,20H,1-2,4-8,10-13,15-16H2.
What are the key properties of (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 120940661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).