N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C24H35N3O3S — CID 25497141

IUPACN-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C24H35N3O3S/c28-24(25-21-11-13-26(14-12-21)22-6-7-22)19-9-15-27(16-10-19)31(29,30)23-8-5-18-3-1-2-4-20(18)17-23/h5,8,17,19,21-22H,1-4,6-7,9-16H2,(H,25,28)
InChIKeyBGBJHDGMCZLYHX-UHFFFAOYSA-N
MW445.63 g/mol
LogP2.71
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 25497141) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID25497141
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C24H35N3O3S/c28-24(25-21-11-13-26(14-12-21)22-6-7-22)19-9-15-27(16-10-19)31(29,30)23-8-5-18-3-1-2-4-20(18)17-23/h5,8,17,19,21-22H,1-4,6-7,9-16H2,(H,25,28)
InChIKeyBGBJHDGMCZLYHX-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 25497141) is N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is O=C(NC1CCN(C2CC2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is BGBJHDGMCZLYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c28-24(25-21-11-13-26(14-12-21)22-6-7-22)19-9-15-27(16-10-19)31(29,30)23-8-5-18-3-1-2-4-20(18)17-23/h5,8,17,19,21-22H,1-4,6-7,9-16H2,(H,25,28).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 445.63 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 25497141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).