(4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate

C23H26N4O2 — CID 122698803

IUPAC(4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate
SMILESN#Cc1c[nH]c(OC(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)c1
InChIInChI=1S/C23H26N4O2/c24-14-16-12-22(26-15-16)29-23(28)27-21-7-6-19(17-8-10-25-11-9-17)13-20(21)18-4-2-1-3-5-18/h4,6-7,12-13,15,17,25-26H,1-3,5,8-11H2,(H,27,28)
InChIKeyCLNMLNINOSEJOA-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.92
Rot. Bonds4

About (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate

(4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate (PubChem CID 122698803) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate.

Molecular Properties

Compound Name(4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate
PubChem CID122698803
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate
SMILESN#Cc1c[nH]c(OC(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)c1
InChIInChI=1S/C23H26N4O2/c24-14-16-12-22(26-15-16)29-23(28)27-21-7-6-19(17-8-10-25-11-9-17)13-20(21)18-4-2-1-3-5-18/h4,6-7,12-13,15,17,25-26H,1-3,5,8-11H2,(H,27,28)
InChIKeyCLNMLNINOSEJOA-UHFFFAOYSA-N
XLogP4.92
TPSA89.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde
CID 158666624
N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-1,2,4-triazole-5-carboxamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 157062816
2-(cyclohexen-1-yl)-4-piperidin-4-ylaniline;bis(2,2,2-trifluoroacetic acid)
CID 172783438
N-[2-(cyclopenten-1-yl)-4-piperidin-4-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 59128588
2-[2-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]acetyl]-1H-imidazole-5-carbonitrile
CID 160559955
5-cyano-N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 160858228
5-chloro-1H-1,2,4-triazole-3-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]-2,2,2-trifluoroacetamide
CID 160757639
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1,1-dioxothian-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 70850156
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 89298027
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methoxypiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11634981
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 24785380
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380

Frequently Asked Questions

What is the IUPAC name of (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate?
The IUPAC name of (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate (CID 122698803) is (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate.
What is the SMILES notation for (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate?
The canonical SMILES for (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate is N#Cc1c[nH]c(OC(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)c1.
What is the InChIKey of (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate?
The InChIKey is CLNMLNINOSEJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-14-16-12-22(26-15-16)29-23(28)27-21-7-6-19(17-8-10-25-11-9-17)13-20(21)18-4-2-1-3-5-18/h4,6-7,12-13,15,17,25-26H,1-3,5,8-11H2,(H,27,28).
What are the key properties of (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate?
(4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate has a molecular weight of 390.49 g/mol, XLogP of 4.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-1H-pyrrol-2-yl) N-[2-(cyclohexen-1-yl)-4-piperidin-4-ylphenyl]carbamate is sourced from PubChem (CID 122698803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).