(2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide

C15H25N3O2 — CID 124698878

IUPAC(2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESNC(=O)C1(NC(=O)[C@H]2CC23CCNCC3)CCCCC1
InChIInChI=1S/C15H25N3O2/c16-13(20)15(4-2-1-3-5-15)18-12(19)11-10-14(11)6-8-17-9-7-14/h11,17H,1-10H2,(H2,16,20)(H,18,19)/t11-/m1/s1
InChIKeyNPDNMJQWAMMIIX-LLVKDONJSA-N
MW279.38 g/mol
LogP0.68
Rot. Bonds3

About (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 124698878) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID124698878
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESNC(=O)C1(NC(=O)[C@H]2CC23CCNCC3)CCCCC1
InChIInChI=1S/C15H25N3O2/c16-13(20)15(4-2-1-3-5-15)18-12(19)11-10-14(11)6-8-17-9-7-14/h11,17H,1-10H2,(H2,16,20)(H,18,19)/t11-/m1/s1
InChIKeyNPDNMJQWAMMIIX-LLVKDONJSA-N
XLogP0.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 124698878) is (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide is NC(=O)C1(NC(=O)[C@H]2CC23CCNCC3)CCCCC1.
What is the InChIKey of (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is NPDNMJQWAMMIIX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-13(20)15(4-2-1-3-5-15)18-12(19)11-10-14(11)6-8-17-9-7-14/h11,17H,1-10H2,(H2,16,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-carbamoylcyclohexyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 124698878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).