1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one

C21H37N3O2 — CID 42693384

IUPAC1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(N2CCC(C(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C21H37N3O2/c1-2-3-7-20(25)23-16-10-19(11-17-23)22-14-8-18(9-15-22)21(26)24-12-5-4-6-13-24/h18-19H,2-17H2,1H3
InChIKeyVKMSARFJYACZEX-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.89
Rot. Bonds5

About 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one

1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one (PubChem CID 42693384) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one
PubChem CID42693384
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(N2CCC(C(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C21H37N3O2/c1-2-3-7-20(25)23-16-10-19(11-17-23)22-14-8-18(9-15-22)21(26)24-12-5-4-6-13-24/h18-19H,2-17H2,1H3
InChIKeyVKMSARFJYACZEX-UHFFFAOYSA-N
XLogP2.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one (CID 42693384) is 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(N2CCC(C(=O)N3CCCCC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
The InChIKey is VKMSARFJYACZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-2-3-7-20(25)23-16-10-19(11-17-23)22-14-8-18(9-15-22)21(26)24-12-5-4-6-13-24/h18-19H,2-17H2,1H3.
What are the key properties of 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one?
1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one has a molecular weight of 363.55 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 42693384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).