N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C24H29N5O2 — CID 143507246

IUPACN-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)N(CCc1c[nH]c2ccccc12)CC1CCN(c2ncc(C=O)cn2)CC1
InChIInChI=1S/C24H29N5O2/c1-2-23(31)29(12-9-20-15-25-22-6-4-3-5-21(20)22)16-18-7-10-28(11-8-18)24-26-13-19(17-30)14-27-24/h3-6,13-15,17-18,25H,2,7-12,16H2,1H3
InChIKeyCHUHGIYUFMPNLJ-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.47
Rot. Bonds8

About N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide

N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 143507246) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID143507246
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)N(CCc1c[nH]c2ccccc12)CC1CCN(c2ncc(C=O)cn2)CC1
InChIInChI=1S/C24H29N5O2/c1-2-23(31)29(12-9-20-15-25-22-6-4-3-5-21(20)22)16-18-7-10-28(11-8-18)24-26-13-19(17-30)14-27-24/h3-6,13-15,17-18,25H,2,7-12,16H2,1H3
InChIKeyCHUHGIYUFMPNLJ-UHFFFAOYSA-N
XLogP3.47
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide
CID 67231003
2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
CID 43655190
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113121783
N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
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N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butylpropanamide
CID 5096553
2-[4-[[9H-fluoren-9-ylmethoxycarbonyl-[1-(1H-indol-3-yl)ethyl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 146294726
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108915571
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 42778811
N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 115532673
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide
CID 51093208
N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67232730
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 143507246) is N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is CCC(=O)N(CCc1c[nH]c2ccccc12)CC1CCN(c2ncc(C=O)cn2)CC1.
What is the InChIKey of N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is CHUHGIYUFMPNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-2-23(31)29(12-9-20-15-25-22-6-4-3-5-21(20)22)16-18-7-10-28(11-8-18)24-26-13-19(17-30)14-27-24/h3-6,13-15,17-18,25H,2,7-12,16H2,1H3.
What are the key properties of N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 419.53 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-formylpyrimidin-2-yl)piperidin-4-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 143507246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).