N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide

C29H37FN4O — CID 175234272

IUPACN-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide
SMILESCc1cn(C2CCN(CCc3ccc(F)cc3)CC2)c2cc(NC(=O)CN3CCCCC3)ccc12
InChIInChI=1S/C29H37FN4O/c1-22-20-34(26-12-17-32(18-13-26)16-11-23-5-7-24(30)8-6-23)28-19-25(9-10-27(22)28)31-29(35)21-33-14-3-2-4-15-33/h5-10,19-20,26H,2-4,11-18,21H2,1H3,(H,31,35)
InChIKeyISAUWMPSKMDNTK-UHFFFAOYSA-N
MW476.64 g/mol
LogP5.39
Rot. Bonds7

About N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide

N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide (PubChem CID 175234272) has the molecular formula C29H37FN4O and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide
PubChem CID175234272
Molecular FormulaC29H37FN4O
Molecular Weight476.64 g/mol
Exact Mass476.30
IUPAC NameN-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide
SMILESCc1cn(C2CCN(CCc3ccc(F)cc3)CC2)c2cc(NC(=O)CN3CCCCC3)ccc12
InChIInChI=1S/C29H37FN4O/c1-22-20-34(26-12-17-32(18-13-26)16-11-23-5-7-24(30)8-6-23)28-19-25(9-10-27(22)28)31-29(35)21-33-14-3-2-4-15-33/h5-10,19-20,26H,2-4,11-18,21H2,1H3,(H,31,35)
InChIKeyISAUWMPSKMDNTK-UHFFFAOYSA-N
XLogP5.39
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide
CID 174391488
N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide
CID 22037937
bis[6-[2-(dimethylamino)-2-oxoethyl]-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-3-yl] oxalate
CID 87903485
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 46976904
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
CID 22037940
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide
CID 54815065
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 10293256
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide (CID 175234272) is N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide is Cc1cn(C2CCN(CCc3ccc(F)cc3)CC2)c2cc(NC(=O)CN3CCCCC3)ccc12.
What is the InChIKey of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide?
The InChIKey is ISAUWMPSKMDNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O/c1-22-20-34(26-12-17-32(18-13-26)16-11-23-5-7-24(30)8-6-23)28-19-25(9-10-27(22)28)31-29(35)21-33-14-3-2-4-15-33/h5-10,19-20,26H,2-4,11-18,21H2,1H3,(H,31,35).
What are the key properties of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide?
N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide has a molecular weight of 476.64 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 175234272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).