2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide

C29H40N4O2 — CID 91391811

IUPAC2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide
SMILESNC(=O)C(c1ccccc1)C(C(=O)NCCN1CCCCC1)c1ccccc1CCN1CCCC1
InChIInChI=1S/C29H40N4O2/c30-28(34)26(24-12-3-1-4-13-24)27(29(35)31-16-22-33-17-7-2-8-18-33)25-14-6-5-11-23(25)15-21-32-19-9-10-20-32/h1,3-6,11-14,26-27H,2,7-10,15-22H2,(H2,30,34)(H,31,35)
InChIKeyRHOGUVGDHVNTPB-UHFFFAOYSA-N
MW476.67 g/mol
LogP3.28
Rot. Bonds11

About 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide

2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide (PubChem CID 91391811) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide.

Molecular Properties

Compound Name2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide
PubChem CID91391811
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC Name2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide
SMILESNC(=O)C(c1ccccc1)C(C(=O)NCCN1CCCCC1)c1ccccc1CCN1CCCC1
InChIInChI=1S/C29H40N4O2/c30-28(34)26(24-12-3-1-4-13-24)27(29(35)31-16-22-33-17-7-2-8-18-33)25-14-6-5-11-23(25)15-21-32-19-9-10-20-32/h1,3-6,11-14,26-27H,2,7-10,15-22H2,(H2,30,34)(H,31,35)
InChIKeyRHOGUVGDHVNTPB-UHFFFAOYSA-N
XLogP3.28
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 97445107
benzhydryl N-(2-piperidin-1-ylethyl)carbamate
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3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide
CID 21117750
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
methyl 2-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 64561155
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide?
The IUPAC name of 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide (CID 91391811) is 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide.
What is the SMILES notation for 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide?
The canonical SMILES for 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide is NC(=O)C(c1ccccc1)C(C(=O)NCCN1CCCCC1)c1ccccc1CCN1CCCC1.
What is the InChIKey of 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide?
The InChIKey is RHOGUVGDHVNTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c30-28(34)26(24-12-3-1-4-13-24)27(29(35)31-16-22-33-17-7-2-8-18-33)25-14-6-5-11-23(25)15-21-32-19-9-10-20-32/h1,3-6,11-14,26-27H,2,7-10,15-22H2,(H2,30,34)(H,31,35).
What are the key properties of 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide?
2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide has a molecular weight of 476.67 g/mol, XLogP of 3.28, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-(2-piperidin-1-ylethyl)-3-[2-(2-pyrrolidin-1-ylethyl)phenyl]butanediamide is sourced from PubChem (CID 91391811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).