N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide

C23H34N4O2 — CID 134787552

IUPACN-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2ccccc2CC2(CCCCN2CC2CCNC2)C1
InChIInChI=1S/C23H34N4O2/c1-18(28)25-14-22(29)26-16-21-7-3-2-6-20(21)12-23(17-26)9-4-5-11-27(23)15-19-8-10-24-13-19/h2-3,6-7,19,24H,4-5,8-17H2,1H3,(H,25,28)
InChIKeyAVFABDBLOOGKDO-UHFFFAOYSA-N
MW398.55 g/mol
LogP1.54
Rot. Bonds4

About N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide

N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide (PubChem CID 134787552) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide
PubChem CID134787552
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2ccccc2CC2(CCCCN2CC2CCNC2)C1
InChIInChI=1S/C23H34N4O2/c1-18(28)25-14-22(29)26-16-21-7-3-2-6-20(21)12-23(17-26)9-4-5-11-27(23)15-19-8-10-24-13-19/h2-3,6-7,19,24H,4-5,8-17H2,1H3,(H,25,28)
InChIKeyAVFABDBLOOGKDO-UHFFFAOYSA-N
XLogP1.54
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide (CID 134787552) is N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide is CC(=O)NCC(=O)N1Cc2ccccc2CC2(CCCCN2CC2CCNC2)C1.
What is the InChIKey of N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide?
The InChIKey is AVFABDBLOOGKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18(28)25-14-22(29)26-16-21-7-3-2-6-20(21)12-23(17-26)9-4-5-11-27(23)15-19-8-10-24-13-19/h2-3,6-7,19,24H,4-5,8-17H2,1H3,(H,25,28).
What are the key properties of N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide?
N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide is sourced from PubChem (CID 134787552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).