[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

C16H22N4O2 — CID 31868528

IUPAC[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H22N4O2/c21-15(14-4-6-17-7-5-14)18-10-12-20(13-11-18)16(22)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2
InChIKeyCBNNCHUJGJWCIF-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.45
Rot. Bonds1

About [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 31868528) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID31868528
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H22N4O2/c21-15(14-4-6-17-7-5-14)18-10-12-20(13-11-18)16(22)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2
InChIKeyCBNNCHUJGJWCIF-UHFFFAOYSA-N
XLogP1.45
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 97333243
methyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 84549542
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
pyridin-4-yl-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545747
2-chloro-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 167785609
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
1-(azepan-1-yl)-2-pyridin-4-ylethane-1,2-dione
CID 101170129

Frequently Asked Questions

What is the IUPAC name of [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 31868528) is [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is CBNNCHUJGJWCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(14-4-6-17-7-5-14)18-10-12-20(13-11-18)16(22)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2.
What are the key properties of [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 302.38 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 31868528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).