1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide

C19H31N3O3 — CID 24790153

IUPAC1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C19H31N3O3/c20-18(24)14-9-11-21(12-10-14)19(25)15-7-8-17(23)22(13-15)16-5-3-1-2-4-6-16/h14-16H,1-13H2,(H2,20,24)
InChIKeyBCLCVZGIKZMWQY-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.67
Rot. Bonds3

About 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide

1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 24790153) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID24790153
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCC(=O)N(C3CCCCCC3)C2)CC1
InChIInChI=1S/C19H31N3O3/c20-18(24)14-9-11-21(12-10-14)19(25)15-7-8-17(23)22(13-15)16-5-3-1-2-4-6-16/h14-16H,1-13H2,(H2,20,24)
InChIKeyBCLCVZGIKZMWQY-UHFFFAOYSA-N
XLogP1.67
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide (CID 24790153) is 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CCC(=O)N(C3CCCCCC3)C2)CC1.
What is the InChIKey of 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is BCLCVZGIKZMWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c20-18(24)14-9-11-21(12-10-14)19(25)15-7-8-17(23)22(13-15)16-5-3-1-2-4-6-16/h14-16H,1-13H2,(H2,20,24).
What are the key properties of 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide?
1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptyl-6-oxopiperidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 24790153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).