N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide

C26H33N3O — CID 11495096

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H33N3O/c30-26(12-6-9-23-19-28-25-11-5-4-10-24(23)25)27-16-13-21-14-17-29(18-15-21)20-22-7-2-1-3-8-22/h1-5,7-8,10-11,19,21,28H,6,9,12-18,20H2,(H,27,30)
InChIKeyKMGYPQZJZPNGND-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.91
Rot. Bonds9

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 11495096) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID11495096
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H33N3O/c30-26(12-6-9-23-19-28-25-11-5-4-10-24(23)25)27-16-13-21-14-17-29(18-15-21)20-22-7-2-1-3-8-22/h1-5,7-8,10-11,19,21,28H,6,9,12-18,20H2,(H,27,30)
InChIKeyKMGYPQZJZPNGND-UHFFFAOYSA-N
XLogP4.91
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide (CID 11495096) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is KMGYPQZJZPNGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c30-26(12-6-9-23-19-28-25-11-5-4-10-24(23)25)27-16-13-21-14-17-29(18-15-21)20-22-7-2-1-3-8-22/h1-5,7-8,10-11,19,21,28H,6,9,12-18,20H2,(H,27,30).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 403.57 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 11495096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).