[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone

C16H22N4O2 — CID 30346280

IUPAC[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H22N4O2/c21-15(14-6-2-3-7-17-14)18-10-12-20(13-11-18)16(22)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-13H2
InChIKeyWJTDHHJNSDCEJA-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.45
Rot. Bonds1

About [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone

[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 30346280) 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-2-ylmethanone.

Molecular Properties

Compound Name[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID30346280
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H22N4O2/c21-15(14-6-2-3-7-17-14)18-10-12-20(13-11-18)16(22)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-13H2
InChIKeyWJTDHHJNSDCEJA-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

Analyze [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
1-(azepan-1-yl)-2-pyridin-2-ylethane-1,2-dione
CID 101170127
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110808437
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110816028
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
N'-(piperidine-1-carbonyl)pyridine-2-carbohydrazide
CID 141057389
2-azaspiro[5.5]undecan-2-yl(pyridin-2-yl)methanone
CID 127305942
N-tert-butyl-4-(pyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813237
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 63394596
pyridin-2-yl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816030

Frequently Asked Questions

What is the IUPAC name of [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 30346280) is [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is WJTDHHJNSDCEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(14-6-2-3-7-17-14)18-10-12-20(13-11-18)16(22)19-8-4-1-5-9-19/h2-3,6-7H,1,4-5,8-13H2.
What are the key properties of [4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone?
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-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-2-ylmethanone is sourced from PubChem (CID 30346280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).