1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide

C22H28N3OP — CID 142879016

IUPAC1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(P)CCN(Cc2ccc3[nH]c4ccccc4c3c2)CC1
InChIInChI=1S/C22H28N3OP/c1-15(2)23-21(26)22(27)9-11-25(12-10-22)14-16-7-8-20-18(13-16)17-5-3-4-6-19(17)24-20/h3-8,13,15,24H,9-12,14,27H2,1-2H3,(H,23,26)
InChIKeyPZZGTBOPACCQMC-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.06
Rot. Bonds4

About 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide

1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 142879016) has the molecular formula C22H28N3OP and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID142879016
Molecular FormulaC22H28N3OP
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(P)CCN(Cc2ccc3[nH]c4ccccc4c3c2)CC1
InChIInChI=1S/C22H28N3OP/c1-15(2)23-21(26)22(27)9-11-25(12-10-22)14-16-7-8-20-18(13-16)17-5-3-4-6-19(17)24-20/h3-8,13,15,24H,9-12,14,27H2,1-2H3,(H,23,26)
InChIKeyPZZGTBOPACCQMC-UHFFFAOYSA-N
XLogP4.06
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide (CID 142879016) is 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1(P)CCN(Cc2ccc3[nH]c4ccccc4c3c2)CC1.
What is the InChIKey of 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is PZZGTBOPACCQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N3OP/c1-15(2)23-21(26)22(27)9-11-25(12-10-22)14-16-7-8-20-18(13-16)17-5-3-4-6-19(17)24-20/h3-8,13,15,24H,9-12,14,27H2,1-2H3,(H,23,26).
What are the key properties of 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-3-ylmethyl)-4-phosphanyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 142879016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).