azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

C17H33N3O — CID 64563073

IUPACazepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)C2CCCCCN2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)19(3)13-15-8-11-20(12-9-15)17(21)16-7-5-4-6-10-18-16/h14-16,18H,4-13H2,1-3H3
InChIKeyVJMYYRZTNMTXAH-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.10
Rot. Bonds4

About azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 64563073) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameazepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID64563073
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Nameazepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCC(C)N(C)CC1CCN(C(=O)C2CCCCCN2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)19(3)13-15-8-11-20(12-9-15)17(21)16-7-5-4-6-10-18-16/h14-16,18H,4-13H2,1-3H3
InChIKeyVJMYYRZTNMTXAH-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride
CID 119958508
[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119896732
(4-methoxypyrrolidin-2-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61215241
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
N,N-dimethyl-1-[(2S)-piperidine-2-carbonyl]piperidine-4-carboxamide
CID 93370935
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone (CID 64563073) is azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is CC(C)N(C)CC1CCN(C(=O)C2CCCCCN2)CC1.
What is the InChIKey of azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is VJMYYRZTNMTXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(2)19(3)13-15-8-11-20(12-9-15)17(21)16-7-5-4-6-10-18-16/h14-16,18H,4-13H2,1-3H3.
What are the key properties of azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone?
azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 295.47 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 64563073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).