(1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C14H25N3O — CID 56704458

IUPAC(1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1[C@H]2CC[C@@H]1CN(C(=O)NC1CCCC1)CC2
InChIInChI=1S/C14H25N3O/c1-16-12-6-7-13(16)10-17(9-8-12)14(18)15-11-4-2-3-5-11/h11-13H,2-10H2,1H3,(H,15,18)/t12-,13+/m0/s1
InChIKeyAQXHMINPOSNYSI-QWHCGFSZSA-N
MW251.37 g/mol
LogP1.81
Rot. Bonds1

About (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

(1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 56704458) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID56704458
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1[C@H]2CC[C@@H]1CN(C(=O)NC1CCCC1)CC2
InChIInChI=1S/C14H25N3O/c1-16-12-6-7-13(16)10-17(9-8-12)14(18)15-11-4-2-3-5-11/h11-13H,2-10H2,1H3,(H,15,18)/t12-,13+/m0/s1
InChIKeyAQXHMINPOSNYSI-QWHCGFSZSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 56704458) is (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CN1[C@H]2CC[C@@H]1CN(C(=O)NC1CCCC1)CC2.
What is the InChIKey of (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is AQXHMINPOSNYSI-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-12-6-7-13(16)10-17(9-8-12)14(18)15-11-4-2-3-5-11/h11-13H,2-10H2,1H3,(H,15,18)/t12-,13+/m0/s1.
What are the key properties of (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
(1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-cyclopentyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 56704458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).