4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide

C21H35N3O3 — CID 55794043

IUPAC4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCOCc1ccco1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C21H35N3O3/c25-21(22-10-6-15-26-18-20-7-5-16-27-20)24-13-8-19(9-14-24)17-23-11-3-1-2-4-12-23/h5,7,16,19H,1-4,6,8-15,17-18H2,(H,22,25)
InChIKeySQCWTNQICPMZOB-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.48
Rot. Bonds8

About 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide

4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide (PubChem CID 55794043) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
PubChem CID55794043
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
SMILESO=C(NCCCOCc1ccco1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C21H35N3O3/c25-21(22-10-6-15-26-18-20-7-5-16-27-20)24-13-8-19(9-14-24)17-23-11-3-1-2-4-12-23/h5,7,16,19H,1-4,6,8-15,17-18H2,(H,22,25)
InChIKeySQCWTNQICPMZOB-UHFFFAOYSA-N
XLogP3.48
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide
CID 71916012
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94041255
4-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
CID 55793914
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 75451642
3-amino-N-[3-(furan-2-ylmethoxy)propyl]cyclopentane-1-carboxamide
CID 66008372
4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
CID 79519433
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 100836192
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030226
N-[3-(furan-2-ylmethoxy)propyl]-2-piperazin-1-ylacetamide
CID 61275324
4-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]-N'-methylpiperidine-1-carboximidamide
CID 111958114

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide (CID 55794043) is 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide is O=C(NCCCOCc1ccco1)N1CCC(CN2CCCCCC2)CC1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide?
The InChIKey is SQCWTNQICPMZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c25-21(22-10-6-15-26-18-20-7-5-16-27-20)24-13-8-19(9-14-24)17-23-11-3-1-2-4-12-23/h5,7,16,19H,1-4,6,8-15,17-18H2,(H,22,25).
What are the key properties of 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide?
4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 55794043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).