N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide

C27H29N3O2 — CID 70245677

IUPACN-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)N3CCC(COc4ccccc4)CC3)ccc21
InChIInChI=1S/C27H29N3O2/c1-2-30-25-11-7-6-10-23(25)24-18-21(12-13-26(24)30)28-27(31)29-16-14-20(15-17-29)19-32-22-8-4-3-5-9-22/h3-13,18,20H,2,14-17,19H2,1H3,(H,28,31)
InChIKeyFVJPIXVFXQWGRI-UHFFFAOYSA-N
MW427.55 g/mol
LogP6.14
Rot. Bonds5

About N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide

N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide (PubChem CID 70245677) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide
PubChem CID70245677
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)N3CCC(COc4ccccc4)CC3)ccc21
InChIInChI=1S/C27H29N3O2/c1-2-30-25-11-7-6-10-23(25)24-18-21(12-13-26(24)30)28-27(31)29-16-14-20(15-17-29)19-32-22-8-4-3-5-9-22/h3-13,18,20H,2,14-17,19H2,1H3,(H,28,31)
InChIKeyFVJPIXVFXQWGRI-UHFFFAOYSA-N
XLogP6.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458815
4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid
CID 167766906
N-(9-ethylcarbazol-3-yl)-4-propoxybenzamide
CID 17163838
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
1-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907109
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 3473107
N-(9-ethylcarbazol-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 96563263
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
CID 51362577
N-(9-ethylcarbazol-3-yl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27248278
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide (CID 70245677) is N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide is CCn1c2ccccc2c2cc(NC(=O)N3CCC(COc4ccccc4)CC3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide?
The InChIKey is FVJPIXVFXQWGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-2-30-25-11-7-6-10-23(25)24-18-21(12-13-26(24)30)28-27(31)29-16-14-20(15-17-29)19-32-22-8-4-3-5-9-22/h3-13,18,20H,2,14-17,19H2,1H3,(H,28,31).
What are the key properties of N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide?
N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 70245677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).