azepan-1-yl-[(3S)-piperidin-3-yl]methanone

C12H22N2O — CID 7169846

IUPACazepan-1-yl-[(3S)-piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCNC1)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14/h11,13H,1-10H2/t11-/m0/s1
InChIKeyRXLCUJOYUJWMPG-NSHDSACASA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds1

About azepan-1-yl-[(3S)-piperidin-3-yl]methanone

azepan-1-yl-[(3S)-piperidin-3-yl]methanone (PubChem CID 7169846) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is azepan-1-yl-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(3S)-piperidin-3-yl]methanone
PubChem CID7169846
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameazepan-1-yl-[(3S)-piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCNC1)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14/h11,13H,1-10H2/t11-/m0/s1
InChIKeyRXLCUJOYUJWMPG-NSHDSACASA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
2-methyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119297856
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 119281331
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[(3S)-piperidin-3-yl]methanone (CID 7169846) is azepan-1-yl-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[(3S)-piperidin-3-yl]methanone is O=C([C@H]1CCCNC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[(3S)-piperidin-3-yl]methanone?
The InChIKey is RXLCUJOYUJWMPG-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14/h11,13H,1-10H2/t11-/m0/s1.
What are the key properties of azepan-1-yl-[(3S)-piperidin-3-yl]methanone?
azepan-1-yl-[(3S)-piperidin-3-yl]methanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 7169846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).