1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide

C27H29N3O2 — CID 10094063

IUPAC1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide
SMILESO=C(NCCO)C1(c2ccccc2)CCN(Cc2ccc3[nH]c4ccccc4c3c2)CC1
InChIInChI=1S/C27H29N3O2/c31-17-14-28-26(32)27(21-6-2-1-3-7-21)12-15-30(16-13-27)19-20-10-11-25-23(18-20)22-8-4-5-9-24(22)29-25/h1-11,18,29,31H,12-17,19H2,(H,28,32)
InChIKeyHIMNDGVGOXRWIR-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.96
Rot. Bonds6

About 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide

1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide (PubChem CID 10094063) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide
PubChem CID10094063
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide
SMILESO=C(NCCO)C1(c2ccccc2)CCN(Cc2ccc3[nH]c4ccccc4c3c2)CC1
InChIInChI=1S/C27H29N3O2/c31-17-14-28-26(32)27(21-6-2-1-3-7-21)12-15-30(16-13-27)19-20-10-11-25-23(18-20)22-8-4-5-9-24(22)29-25/h1-11,18,29,31H,12-17,19H2,(H,28,32)
InChIKeyHIMNDGVGOXRWIR-UHFFFAOYSA-N
XLogP3.96
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide (CID 10094063) is 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide is O=C(NCCO)C1(c2ccccc2)CCN(Cc2ccc3[nH]c4ccccc4c3c2)CC1.
What is the InChIKey of 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is HIMNDGVGOXRWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-17-14-28-26(32)27(21-6-2-1-3-7-21)12-15-30(16-13-27)19-20-10-11-25-23(18-20)22-8-4-5-9-24(22)29-25/h1-11,18,29,31H,12-17,19H2,(H,28,32).
What are the key properties of 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide?
1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-3-ylmethyl)-N-(2-hydroxyethyl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 10094063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).