[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone

C15H28N2O — CID 113266870

IUPAC[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)13-6-5-10-17(11-8-13)15(18)14-7-3-4-9-16-14/h12-14,16H,3-11H2,1-2H3/t13?,14-/m1/s1
InChIKeyVSLWNYYSOZAXMP-ARLHGKGLSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds2

About [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone

[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone (PubChem CID 113266870) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
PubChem CID113266870
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)13-6-5-10-17(11-8-13)15(18)14-7-3-4-9-16-14/h12-14,16H,3-11H2,1-2H3/t13?,14-/m1/s1
InChIKeyVSLWNYYSOZAXMP-ARLHGKGLSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837
piperidin-2-yl-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119326089
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid
CID 103870702
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904

Frequently Asked Questions

What is the IUPAC name of [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone?
The IUPAC name of [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone (CID 113266870) is [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone.
What is the SMILES notation for [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone?
The canonical SMILES for [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone is CC(C)C1CCCN(C(=O)[C@H]2CCCCN2)CC1.
What is the InChIKey of [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone?
The InChIKey is VSLWNYYSOZAXMP-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)13-6-5-10-17(11-8-13)15(18)14-7-3-4-9-16-14/h12-14,16H,3-11H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone?
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone is sourced from PubChem (CID 113266870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).