N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide

C24H30N4O — CID 46967123

IUPACN-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide
SMILESCC(C)NC(=O)Cn1cc(CN2CCC(c3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C24H30N4O/c1-18(2)26-24(29)17-28-16-21(22-5-3-4-6-23(22)28)15-27-13-9-20(10-14-27)19-7-11-25-12-8-19/h3-8,11-12,16,18,20H,9-10,13-15,17H2,1-2H3,(H,26,29)
InChIKeyAFWFSQHWWZVBGG-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.94
Rot. Bonds6

About N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide

N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide (PubChem CID 46967123) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide
PubChem CID46967123
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide
SMILESCC(C)NC(=O)Cn1cc(CN2CCC(c3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C24H30N4O/c1-18(2)26-24(29)17-28-16-21(22-5-3-4-6-23(22)28)15-27-13-9-20(10-14-27)19-7-11-25-12-8-19/h3-8,11-12,16,18,20H,9-10,13-15,17H2,1-2H3,(H,26,29)
InChIKeyAFWFSQHWWZVBGG-UHFFFAOYSA-N
XLogP3.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 51872377
N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51872410
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide
CID 51504824
2-[3-[[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 92603831
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
N-[3-[1-[[1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049142
2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 28697267
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 172892735
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63596895
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide (CID 46967123) is N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide is CC(C)NC(=O)Cn1cc(CN2CCC(c3ccncc3)CC2)c2ccccc21.
What is the InChIKey of N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide?
The InChIKey is AFWFSQHWWZVBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18(2)26-24(29)17-28-16-21(22-5-3-4-6-23(22)28)15-27-13-9-20(10-14-27)19-7-11-25-12-8-19/h3-8,11-12,16,18,20H,9-10,13-15,17H2,1-2H3,(H,26,29).
What are the key properties of N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide?
N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide has a molecular weight of 390.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 46967123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).