N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide

C23H32N4O2 — CID 12608574

IUPACN-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide
SMILESO=C(NC(=O)C1CCCCC1)NC1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H32N4O2/c28-22(17-6-2-1-3-7-17)26-23(29)25-19-11-14-27(15-12-19)13-10-18-16-24-21-9-5-4-8-20(18)21/h4-5,8-9,16-17,19,24H,1-3,6-7,10-15H2,(H2,25,26,28,29)
InChIKeyISSLIBDPVAHJFE-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.58
Rot. Bonds5

About N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide

N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide (PubChem CID 12608574) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide
PubChem CID12608574
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide
SMILESO=C(NC(=O)C1CCCCC1)NC1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H32N4O2/c28-22(17-6-2-1-3-7-17)26-23(29)25-19-11-14-27(15-12-19)13-10-18-16-24-21-9-5-4-8-20(18)21/h4-5,8-9,16-17,19,24H,1-3,6-7,10-15H2,(H2,25,26,28,29)
InChIKeyISSLIBDPVAHJFE-UHFFFAOYSA-N
XLogP3.58
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide (CID 12608574) is N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide is O=C(NC(=O)C1CCCCC1)NC1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide?
The InChIKey is ISSLIBDPVAHJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c28-22(17-6-2-1-3-7-17)26-23(29)25-19-11-14-27(15-12-19)13-10-18-16-24-21-9-5-4-8-20(18)21/h4-5,8-9,16-17,19,24H,1-3,6-7,10-15H2,(H2,25,26,28,29).
What are the key properties of N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide?
N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]cyclohexanecarboxamide is sourced from PubChem (CID 12608574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).