N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

C27H32F2N4O2 — CID 55950440

IUPACN-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C27H32F2N4O2/c1-17(2)26(34)32-25(14-19-15-30-24-6-4-3-5-21(19)24)27(35)31-20-9-11-33(12-10-20)16-18-7-8-22(28)23(29)13-18/h3-8,13,15,17,20,25,30H,9-12,14,16H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyJVOIUTVKNBVYHX-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.91
Rot. Bonds8

About N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 55950440) has the molecular formula C27H32F2N4O2 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID55950440
Molecular FormulaC27H32F2N4O2
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC NameN-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C27H32F2N4O2/c1-17(2)26(34)32-25(14-19-15-30-24-6-4-3-5-21(19)24)27(35)31-20-9-11-33(12-10-20)16-18-7-8-22(28)23(29)13-18/h3-8,13,15,17,20,25,30H,9-12,14,16H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyJVOIUTVKNBVYHX-UHFFFAOYSA-N
XLogP3.91
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (CID 55950440) is N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is JVOIUTVKNBVYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O2/c1-17(2)26(34)32-25(14-19-15-30-24-6-4-3-5-21(19)24)27(35)31-20-9-11-33(12-10-20)16-18-7-8-22(28)23(29)13-18/h3-8,13,15,17,20,25,30H,9-12,14,16H2,1-2H3,(H,31,35)(H,32,34).
What are the key properties of N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 482.58 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55950440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).