N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide

C20H21N3O3 — CID 68752106

IUPACN-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
SMILESO=C(NC(=O)N1CCC(CO)CC1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H21N3O3/c24-12-13-8-10-23(11-9-13)20(26)22-19(25)16-6-3-5-15-14-4-1-2-7-17(14)21-18(15)16/h1-7,13,21,24H,8-12H2,(H,22,25,26)
InChIKeyMFLAOMNKHIWXNL-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.88
Rot. Bonds2

About N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide

N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide (PubChem CID 68752106) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
PubChem CID68752106
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
SMILESO=C(NC(=O)N1CCC(CO)CC1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H21N3O3/c24-12-13-8-10-23(11-9-13)20(26)22-19(25)16-6-3-5-15-14-4-1-2-7-17(14)21-18(15)16/h1-7,13,21,24H,8-12H2,(H,22,25,26)
InChIKeyMFLAOMNKHIWXNL-UHFFFAOYSA-N
XLogP2.88
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide
CID 68753917
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
4-[(2-methyl-1H-indol-3-yl)methyl]-N-phenylpiperidine-1-carboxamide
CID 113086637
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 69074674
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-10H-acridin-9-one
CID 167988048

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide (CID 68752106) is N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide is O=C(NC(=O)N1CCC(CO)CC1)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide?
The InChIKey is MFLAOMNKHIWXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-12-13-8-10-23(11-9-13)20(26)22-19(25)16-6-3-5-15-14-4-1-2-7-17(14)21-18(15)16/h1-7,13,21,24H,8-12H2,(H,22,25,26).
What are the key properties of N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide?
N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 68752106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).