1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide

C26H40N4O2 — CID 93061536

IUPAC1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)c(CN1CCC(C(=O)NCCCN3CCCC[C@@H]3C)CC1)cn2C
InChIInChI=1S/C26H40N4O2/c1-20-7-4-5-13-30(20)14-6-12-27-26(31)21-10-15-29(16-11-21)19-22-18-28(2)25-9-8-23(32-3)17-24(22)25/h8-9,17-18,20-21H,4-7,10-16,19H2,1-3H3,(H,27,31)/t20-/m0/s1
InChIKeyCHIPIWXMPJKCOM-FQEVSTJZSA-N
MW440.63 g/mol
LogP3.78
Rot. Bonds8

About 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide

1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide (PubChem CID 93061536) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
PubChem CID93061536
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)c(CN1CCC(C(=O)NCCCN3CCCC[C@@H]3C)CC1)cn2C
InChIInChI=1S/C26H40N4O2/c1-20-7-4-5-13-30(20)14-6-12-27-26(31)21-10-15-29(16-11-21)19-22-18-28(2)25-9-8-23(32-3)17-24(22)25/h8-9,17-18,20-21H,4-7,10-16,19H2,1-3H3,(H,27,31)/t20-/m0/s1
InChIKeyCHIPIWXMPJKCOM-FQEVSTJZSA-N
XLogP3.78
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53117767
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 20974080
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3912331
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 95088469
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036163
N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384778
N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 53117776
1-[(5-chloro-1-methylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53117839
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopentanecarboxamide
CID 19086062
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide (CID 93061536) is 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide is COc1ccc2c(c1)c(CN1CCC(C(=O)NCCCN3CCCC[C@@H]3C)CC1)cn2C.
What is the InChIKey of 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
The InChIKey is CHIPIWXMPJKCOM-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-20-7-4-5-13-30(20)14-6-12-27-26(31)21-10-15-29(16-11-21)19-22-18-28(2)25-9-8-23(32-3)17-24(22)25/h8-9,17-18,20-21H,4-7,10-16,19H2,1-3H3,(H,27,31)/t20-/m0/s1.
What are the key properties of 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide?
1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide has a molecular weight of 440.63 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1-methylindol-3-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 93061536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).