N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide

C25H37N3O2 — CID 134787321

IUPACN-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1Cc2ccccc2CC2(CCCN(CC3CCCC3)C2)C1
InChIInChI=1S/C25H37N3O2/c1-20(29)26-13-11-24(30)28-17-23-10-5-4-9-22(23)15-25(19-28)12-6-14-27(18-25)16-21-7-2-3-8-21/h4-5,9-10,21H,2-3,6-8,11-19H2,1H3,(H,26,29)
InChIKeyVUFKAVACNVYUED-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.37
Rot. Bonds5

About N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide

N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide (PubChem CID 134787321) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide
PubChem CID134787321
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC NameN-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1Cc2ccccc2CC2(CCCN(CC3CCCC3)C2)C1
InChIInChI=1S/C25H37N3O2/c1-20(29)26-13-11-24(30)28-17-23-10-5-4-9-22(23)15-25(19-28)12-6-14-27(18-25)16-21-7-2-3-8-21/h4-5,9-10,21H,2-3,6-8,11-19H2,1H3,(H,26,29)
InChIKeyVUFKAVACNVYUED-UHFFFAOYSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide (CID 134787321) is N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1Cc2ccccc2CC2(CCCN(CC3CCCC3)C2)C1.
What is the InChIKey of N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide?
The InChIKey is VUFKAVACNVYUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-20(29)26-13-11-24(30)28-17-23-10-5-4-9-22(23)15-25(19-28)12-6-14-27(18-25)16-21-7-2-3-8-21/h4-5,9-10,21H,2-3,6-8,11-19H2,1H3,(H,26,29).
What are the key properties of N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide?
N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide has a molecular weight of 411.59 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 134787321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).