N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide

C24H36N4O — CID 51872410

IUPACN-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
SMILESCC(C)NC(=O)Cn1cc(CN2CCC[C@H](CN3CCCC3)C2)c2ccccc21
InChIInChI=1S/C24H36N4O/c1-19(2)25-24(29)18-28-17-21(22-9-3-4-10-23(22)28)16-27-13-7-8-20(15-27)14-26-11-5-6-12-26/h3-4,9-10,17,19-20H,5-8,11-16,18H2,1-2H3,(H,25,29)/t20-/m1/s1
InChIKeyGDTGKYFODZEAQG-HXUWFJFHSA-N
MW396.58 g/mol
LogP3.47
Rot. Bonds7

About N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide

N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide (PubChem CID 51872410) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
PubChem CID51872410
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
SMILESCC(C)NC(=O)Cn1cc(CN2CCC[C@H](CN3CCCC3)C2)c2ccccc21
InChIInChI=1S/C24H36N4O/c1-19(2)25-24(29)18-28-17-21(22-9-3-4-10-23(22)28)16-27-13-7-8-20(15-27)14-26-11-5-6-12-26/h3-4,9-10,17,19-20H,5-8,11-16,18H2,1-2H3,(H,25,29)/t20-/m1/s1
InChIKeyGDTGKYFODZEAQG-HXUWFJFHSA-N
XLogP3.47
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.47
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-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide
CID 46967123
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
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide
CID 51504824
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61203945
2-[3-[[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 42194573
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
2-[3-[[(3S)-3-propoxypiperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51500199
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
2-cyclopentyl-N-[(S)-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 95795440

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide (CID 51872410) is N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide is CC(C)NC(=O)Cn1cc(CN2CCC[C@H](CN3CCCC3)C2)c2ccccc21.
What is the InChIKey of N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide?
The InChIKey is GDTGKYFODZEAQG-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H36N4O/c1-19(2)25-24(29)18-28-17-21(22-9-3-4-10-23(22)28)16-27-13-7-8-20(15-27)14-26-11-5-6-12-26/h3-4,9-10,17,19-20H,5-8,11-16,18H2,1-2H3,(H,25,29)/t20-/m1/s1.
What are the key properties of N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide?
N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide has a molecular weight of 396.58 g/mol, XLogP of 3.47, 7 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-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 51872410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).