N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C34H43N7O3 — CID 70696847

IUPACN-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C34H43N7O3/c42-32(39-18-12-25(13-19-39)38-16-6-1-7-17-38)30(22-24-23-35-28-9-3-2-8-27(24)28)37-33(43)40-20-14-26(15-21-40)41-31-11-5-4-10-29(31)36-34(41)44/h2-5,8-11,23,25-26,30,35H,1,6-7,12-22H2,(H,36,44)(H,37,43)/t30-/m1/s1
InChIKeyJIZRFQIOTHWMPY-SSEXGKCCSA-N
MW597.76 g/mol
LogP4.25
Rot. Bonds6

About N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 70696847) has the molecular formula C34H43N7O3 and a molecular weight of 597.76 g/mol. Its IUPAC name is N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID70696847
Molecular FormulaC34H43N7O3
Molecular Weight597.76 g/mol
Exact Mass597.34
IUPAC NameN-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C34H43N7O3/c42-32(39-18-12-25(13-19-39)38-16-6-1-7-17-38)30(22-24-23-35-28-9-3-2-8-27(24)28)37-33(43)40-20-14-26(15-21-40)41-31-11-5-4-10-29(31)36-34(41)44/h2-5,8-11,23,25-26,30,35H,1,6-7,12-22H2,(H,36,44)(H,37,43)/t30-/m1/s1
InChIKeyJIZRFQIOTHWMPY-SSEXGKCCSA-N
XLogP4.25
TPSA109.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.76
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 70696847) is N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(N2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is JIZRFQIOTHWMPY-SSEXGKCCSA-N. The full InChI is InChI=1S/C34H43N7O3/c42-32(39-18-12-25(13-19-39)38-16-6-1-7-17-38)30(22-24-23-35-28-9-3-2-8-27(24)28)37-33(43)40-20-14-26(15-21-40)41-31-11-5-4-10-29(31)36-34(41)44/h2-5,8-11,23,25-26,30,35H,1,6-7,12-22H2,(H,36,44)(H,37,43)/t30-/m1/s1.
What are the key properties of N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 597.76 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 70696847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).