1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C25H37N3O2 — CID 42693525

IUPAC1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)CC1
InChIInChI=1S/C25H37N3O2/c1-2-6-24(29)28-17-13-21(14-18-28)27-15-11-20(12-16-27)25(30)26-23-10-5-8-19-7-3-4-9-22(19)23/h3-4,7,9,20-21,23H,2,5-6,8,10-18H2,1H3,(H,26,30)
InChIKeyHNIGWSWFAXVTGU-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.68
Rot. Bonds5

About 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 42693525) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID42693525
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)CC1
InChIInChI=1S/C25H37N3O2/c1-2-6-24(29)28-17-13-21(14-18-28)27-15-11-20(12-16-27)25(30)26-23-10-5-8-19-7-3-4-9-22(19)23/h3-4,7,9,20-21,23H,2,5-6,8,10-18H2,1H3,(H,26,30)
InChIKeyHNIGWSWFAXVTGU-UHFFFAOYSA-N
XLogP3.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 42693525) is 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is CCCC(=O)N1CCC(N2CCC(C(=O)NC3CCCc4ccccc43)CC2)CC1.
What is the InChIKey of 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is HNIGWSWFAXVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-2-6-24(29)28-17-13-21(14-18-28)27-15-11-20(12-16-27)25(30)26-23-10-5-8-19-7-3-4-9-22(19)23/h3-4,7,9,20-21,23H,2,5-6,8,10-18H2,1H3,(H,26,30).
What are the key properties of 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butanoylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42693525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).