N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide

C25H29F3N4O — CID 167313753

IUPACN-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
SMILESNCCCN1CCC(NC(=O)c2cc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H29F3N4O/c26-25(27,28)20-8-6-18(7-9-20)17-32-22-5-2-1-4-19(22)16-23(32)24(33)30-21-10-14-31(15-11-21)13-3-12-29/h1-2,4-9,16,21H,3,10-15,17,29H2,(H,30,33)
InChIKeyILTVLPZGDRICGA-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.25
Rot. Bonds7

About N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide

N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide (PubChem CID 167313753) has the molecular formula C25H29F3N4O and a molecular weight of 458.53 g/mol. Its IUPAC name is N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
PubChem CID167313753
Molecular FormulaC25H29F3N4O
Molecular Weight458.53 g/mol
Exact Mass458.23
IUPAC NameN-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
SMILESNCCCN1CCC(NC(=O)c2cc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H29F3N4O/c26-25(27,28)20-8-6-18(7-9-20)17-32-22-5-2-1-4-19(22)16-23(32)24(33)30-21-10-14-31(15-11-21)13-3-12-29/h1-2,4-9,16,21H,3,10-15,17,29H2,(H,30,33)
InChIKeyILTVLPZGDRICGA-UHFFFAOYSA-N
XLogP4.25
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The IUPAC name of N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide (CID 167313753) is N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide.
What is the SMILES notation for N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The canonical SMILES for N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide is NCCCN1CCC(NC(=O)c2cc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The InChIKey is ILTVLPZGDRICGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O/c26-25(27,28)20-8-6-18(7-9-20)17-32-22-5-2-1-4-19(22)16-23(32)24(33)30-21-10-14-31(15-11-21)13-3-12-29/h1-2,4-9,16,21H,3,10-15,17,29H2,(H,30,33).
What are the key properties of N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminopropyl)piperidin-4-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 167313753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).