1-(adamantane-1-carbonyl)piperidine-4-carboxamide

C17H26N2O2 — CID 649760

IUPAC1-(adamantane-1-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H26N2O2/c18-15(20)14-1-3-19(4-2-14)16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,18,20)
InChIKeyBLVOTMAYTOMBSX-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds2

About 1-(adamantane-1-carbonyl)piperidine-4-carboxamide

1-(adamantane-1-carbonyl)piperidine-4-carboxamide (PubChem CID 649760) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)piperidine-4-carboxamide
PubChem CID649760
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(adamantane-1-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C17H26N2O2/c18-15(20)14-1-3-19(4-2-14)16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,18,20)
InChIKeyBLVOTMAYTOMBSX-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)piperidine-4-carboxamide (CID 649760) is 1-(adamantane-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-(adamantane-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is BLVOTMAYTOMBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-15(20)14-1-3-19(4-2-14)16(21)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,18,20).
What are the key properties of 1-(adamantane-1-carbonyl)piperidine-4-carboxamide?
1-(adamantane-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 649760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).