(3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone

C24H30N2O3 — CID 134792975

IUPAC(3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone
SMILESCCCN1CCC2(CCN(C(=O)c3cccc(OC)c3)CC2)Oc2ccccc21
InChIInChI=1S/C24H30N2O3/c1-3-14-25-15-11-24(29-22-10-5-4-9-21(22)25)12-16-26(17-13-24)23(27)19-7-6-8-20(18-19)28-2/h4-10,18H,3,11-17H2,1-2H3
InChIKeyFXCMUKRSKYYPBN-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.37
Rot. Bonds4

About (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone

(3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone (PubChem CID 134792975) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone
PubChem CID134792975
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone
SMILESCCCN1CCC2(CCN(C(=O)c3cccc(OC)c3)CC2)Oc2ccccc21
InChIInChI=1S/C24H30N2O3/c1-3-14-25-15-11-24(29-22-10-5-4-9-21(22)25)12-16-26(17-13-24)23(27)19-7-6-8-20(18-19)28-2/h4-10,18H,3,11-17H2,1-2H3
InChIKeyFXCMUKRSKYYPBN-UHFFFAOYSA-N
XLogP4.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone
CID 134800134
(3-chlorophenyl)-[5-[(2-ethoxyphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]methanone
CID 134795596
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(4-methoxyphenyl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylmethanone
CID 90565595
3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901933
1'-(3-methoxybenzoyl)-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068271
9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986041
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734202
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-(3-methoxybenzoyl)piperazin-1-yl]butane-1,4-dione
CID 56563412

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone (CID 134792975) is (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone is CCCN1CCC2(CCN(C(=O)c3cccc(OC)c3)CC2)Oc2ccccc21.
What is the InChIKey of (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone?
The InChIKey is FXCMUKRSKYYPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-14-25-15-11-24(29-22-10-5-4-9-21(22)25)12-16-26(17-13-24)23(27)19-7-6-8-20(18-19)28-2/h4-10,18H,3,11-17H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone?
(3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 134792975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).