(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone

C16H31N3O2 — CID 114428564

IUPAC(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
SMILESCCC1CCNC(C(=O)N2CCCN(CCOC)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-3-14-5-6-17-15(13-14)16(20)19-8-4-7-18(9-10-19)11-12-21-2/h14-15,17H,3-13H2,1-2H3
InChIKeyNHGBURSVZQSQHT-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.95
Rot. Bonds5

About (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone

(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 114428564) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
PubChem CID114428564
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
SMILESCCC1CCNC(C(=O)N2CCCN(CCOC)CC2)C1
InChIInChI=1S/C16H31N3O2/c1-3-14-5-6-17-15(13-14)16(20)19-8-4-7-18(9-10-19)11-12-21-2/h14-15,17H,3-13H2,1-2H3
InChIKeyNHGBURSVZQSQHT-UHFFFAOYSA-N
XLogP0.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-thiomorpholin-3-ylmethanone
CID 82909244
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 54874273
(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428788
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838539
(4,4-difluoropyrrolidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 120954846
3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
CID 114428966
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 114429479
4-ethyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 114428071
4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
CID 114428986

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (CID 114428564) is (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone is CCC1CCNC(C(=O)N2CCCN(CCOC)CC2)C1.
What is the InChIKey of (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is NHGBURSVZQSQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-14-5-6-17-15(13-14)16(20)19-8-4-7-18(9-10-19)11-12-21-2/h14-15,17H,3-13H2,1-2H3.
What are the key properties of (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone?
(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 297.44 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 114428564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).