4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide

C27H40N4O3 — CID 159783713

IUPAC4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide
SMILESNC(=O)c1cc2c(OCC3CCCC3)cccc2n1C1CCN(CCN2CCC(O)CC2)CC1
InChIInChI=1S/C27H40N4O3/c28-27(33)25-18-23-24(6-3-7-26(23)34-19-20-4-1-2-5-20)31(25)21-8-12-29(13-9-21)16-17-30-14-10-22(32)11-15-30/h3,6-7,18,20-22,32H,1-2,4-5,8-17,19H2,(H2,28,33)
InChIKeyNHRLMZVFDXBSQN-UHFFFAOYSA-N
MW468.64 g/mol
LogP3.40
Rot. Bonds8

About 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide

4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide (PubChem CID 159783713) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide
PubChem CID159783713
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC Name4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide
SMILESNC(=O)c1cc2c(OCC3CCCC3)cccc2n1C1CCN(CCN2CCC(O)CC2)CC1
InChIInChI=1S/C27H40N4O3/c28-27(33)25-18-23-24(6-3-7-26(23)34-19-20-4-1-2-5-20)31(25)21-8-12-29(13-9-21)16-17-30-14-10-22(32)11-15-30/h3,6-7,18,20-22,32H,1-2,4-5,8-17,19H2,(H2,28,33)
InChIKeyNHRLMZVFDXBSQN-UHFFFAOYSA-N
XLogP3.40
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?
The IUPAC name of 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide (CID 159783713) is 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?
The canonical SMILES for 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide is NC(=O)c1cc2c(OCC3CCCC3)cccc2n1C1CCN(CCN2CCC(O)CC2)CC1.
What is the InChIKey of 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?
The InChIKey is NHRLMZVFDXBSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O3/c28-27(33)25-18-23-24(6-3-7-26(23)34-19-20-4-1-2-5-20)31(25)21-8-12-29(13-9-21)16-17-30-14-10-22(32)11-15-30/h3,6-7,18,20-22,32H,1-2,4-5,8-17,19H2,(H2,28,33).
What are the key properties of 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?
4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide has a molecular weight of 468.64 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide is sourced from PubChem (CID 159783713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).