N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide

C23H33N5O2 — CID 67700597

IUPACN-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide
SMILESCC(NC(=O)CN1CCC(N2CCCCC2)CC1)C(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C23H33N5O2/c1-17(23(30)26-21-15-24-20-8-4-3-7-19(20)21)25-22(29)16-27-13-9-18(10-14-27)28-11-5-2-6-12-28/h3-4,7-8,15,17-18,24H,2,5-6,9-14,16H2,1H3,(H,25,29)(H,26,30)
InChIKeyKSHLVSQLRDMRFR-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.56
Rot. Bonds6

About N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide

N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide (PubChem CID 67700597) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide
PubChem CID67700597
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide
SMILESCC(NC(=O)CN1CCC(N2CCCCC2)CC1)C(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C23H33N5O2/c1-17(23(30)26-21-15-24-20-8-4-3-7-19(20)21)25-22(29)16-27-13-9-18(10-14-27)28-11-5-2-6-12-28/h3-4,7-8,15,17-18,24H,2,5-6,9-14,16H2,1H3,(H,25,29)(H,26,30)
InChIKeyKSHLVSQLRDMRFR-UHFFFAOYSA-N
XLogP2.56
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]butanamide
CID 57116362
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]butanamide
CID 57173082
N-[(2R)-3-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide;dihydrochloride
CID 70198634
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethylphenyl)methyl]-3-(1H-indol-3-yl)butanamide
CID 57008394
3-(1H-indol-3-yl)-N-methyl-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]-N-[(3,4,5-trichlorophenyl)methyl]propanamide
CID 19074829
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(3,4-dimethylphenyl)methyl]-3-(1H-indol-3-yl)butanamide
CID 57214245
N-(2-chlorophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetamide
CID 17498519
methyl 2-[[2-(4-cyclohexyloxypiperidin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 86873968
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 19074790
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(3,4-diethylphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19417974
N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 55981658

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide?
The IUPAC name of N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide (CID 67700597) is N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide is CC(NC(=O)CN1CCC(N2CCCCC2)CC1)C(=O)Nc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide?
The InChIKey is KSHLVSQLRDMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-17(23(30)26-21-15-24-20-8-4-3-7-19(20)21)25-22(29)16-27-13-9-18(10-14-27)28-11-5-2-6-12-28/h3-4,7-8,15,17-18,24H,2,5-6,9-14,16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide?
N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide has a molecular weight of 411.55 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 67700597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).