4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide

C19H28N2O3 — CID 167751742

IUPAC4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide
SMILESO=C(CCCc1ccc2c(c1)OCCCO2)NCC1CCNCC1
InChIInChI=1S/C19H28N2O3/c22-19(21-14-16-7-9-20-10-8-16)4-1-3-15-5-6-17-18(13-15)24-12-2-11-23-17/h5-6,13,16,20H,1-4,7-12,14H2,(H,21,22)
InChIKeyLEJPTJUPUUQCDC-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.29
Rot. Bonds6

About 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide (PubChem CID 167751742) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide
PubChem CID167751742
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide
SMILESO=C(CCCc1ccc2c(c1)OCCCO2)NCC1CCNCC1
InChIInChI=1S/C19H28N2O3/c22-19(21-14-16-7-9-20-10-8-16)4-1-3-15-5-6-17-18(13-15)24-12-2-11-23-17/h5-6,13,16,20H,1-4,7-12,14H2,(H,21,22)
InChIKeyLEJPTJUPUUQCDC-UHFFFAOYSA-N
XLogP2.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271866
methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate
CID 82350330
N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944237
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-4-carboxamide
CID 98037542
4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119462608
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one
CID 167935045
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 110787903
5-cyclohexylsulfinyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pentanamide
CID 129295790
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
N-(cyclopropylmethyl)-3-[4-(piperidin-4-ylmethyl)phenyl]propanamide;hydrochloride
CID 146064790
1-cyclopropyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanamine
CID 60870105
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 110353190

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide?
The IUPAC name of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide (CID 167751742) is 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide?
The canonical SMILES for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide is O=C(CCCc1ccc2c(c1)OCCCO2)NCC1CCNCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide?
The InChIKey is LEJPTJUPUUQCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-19(21-14-16-7-9-20-10-8-16)4-1-3-15-5-6-17-18(13-15)24-12-2-11-23-17/h5-6,13,16,20H,1-4,7-12,14H2,(H,21,22).
What are the key properties of 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide?
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide has a molecular weight of 332.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide is sourced from PubChem (CID 167751742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).