N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide

C27H42N4O2 — CID 20974080

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)NCCN(C)C3CCCCC3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C27H42N4O2/c1-4-31-20-22(25-18-24(33-3)10-11-26(25)31)19-30-15-12-21(13-16-30)27(32)28-14-17-29(2)23-8-6-5-7-9-23/h10-11,18,20-21,23H,4-9,12-17,19H2,1-3H3,(H,28,32)
InChIKeyJSPPOSUFBIIRON-UHFFFAOYSA-N
MW454.66 g/mol
LogP4.26
Rot. Bonds9

About N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 20974080) has the molecular formula C27H42N4O2 and a molecular weight of 454.66 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID20974080
Molecular FormulaC27H42N4O2
Molecular Weight454.66 g/mol
Exact Mass454.33
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)NCCN(C)C3CCCCC3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C27H42N4O2/c1-4-31-20-22(25-18-24(33-3)10-11-26(25)31)19-30-15-12-21(13-16-30)27(32)28-14-17-29(2)23-8-6-5-7-9-23/h10-11,18,20-21,23H,4-9,12-17,19H2,1-3H3,(H,28,32)
InChIKeyJSPPOSUFBIIRON-UHFFFAOYSA-N
XLogP4.26
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53117767
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 53117776
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 95088469
1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 93061536
[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969
[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91910139
N-[2-(diethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3152666
1-[(1-ethylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53117852
(1R,5S)-3-[(1-ethyl-5-methoxyindol-3-yl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 92589967
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide (CID 20974080) is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)NCCN(C)C3CCCCC3)CC2)c2cc(OC)ccc21.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is JSPPOSUFBIIRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O2/c1-4-31-20-22(25-18-24(33-3)10-11-26(25)31)19-30-15-12-21(13-16-30)27(32)28-14-17-29(2)23-8-6-5-7-9-23/h10-11,18,20-21,23H,4-9,12-17,19H2,1-3H3,(H,28,32).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 454.66 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20974080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).