N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide

C22H25N3O — CID 54526531

IUPACN-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O/c26-22(18-6-2-1-3-7-18)23-12-15-25-13-10-17(11-14-25)20-16-24-21-9-5-4-8-19(20)21/h1-9,16-17,24H,10-15H2,(H,23,26)
InChIKeyYTMMYHUPESJHJA-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.78
Rot. Bonds5

About N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide

N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 54526531) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID54526531
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O/c26-22(18-6-2-1-3-7-18)23-12-15-25-13-10-17(11-14-25)20-16-24-21-9-5-4-8-19(20)21/h1-9,16-17,24H,10-15H2,(H,23,26)
InChIKeyYTMMYHUPESJHJA-UHFFFAOYSA-N
XLogP3.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide
CID 44533348
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
5-(3,5-dichloro-4-hydroxyphenyl)-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]penta-2,4-dienamide
CID 54305331
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
(2E,4E)-5-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]penta-2,4-dienamide
CID 10530187
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-1H-benzimidazol-2-one
CID 13056042
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
(E)-1-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethylamino]-3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-1-en-1-ol
CID 67923274

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide (CID 54526531) is N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is YTMMYHUPESJHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22(18-6-2-1-3-7-18)23-12-15-25-13-10-17(11-14-25)20-16-24-21-9-5-4-8-19(20)21/h1-9,16-17,24H,10-15H2,(H,23,26).
What are the key properties of N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide?
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 54526531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).