N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide

C24H29FN6O — CID 14426373

IUPACN-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nnnn2C)CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C24H29FN6O/c1-3-22(32)31(20-10-5-4-6-11-20)24(23-26-27-28-29(23)2)14-17-30(18-15-24)16-13-19-9-7-8-12-21(19)25/h4-12H,3,13-18H2,1-2H3
InChIKeyHWBSLWDPVHGYCN-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.33
Rot. Bonds7

About N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14426373) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14426373
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC NameN-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nnnn2C)CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C24H29FN6O/c1-3-22(32)31(20-10-5-4-6-11-20)24(23-26-27-28-29(23)2)14-17-30(18-15-24)16-13-19-9-7-8-12-21(19)25/h4-12H,3,13-18H2,1-2H3
InChIKeyHWBSLWDPVHGYCN-UHFFFAOYSA-N
XLogP3.33
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide (CID 14426373) is N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(c2nnnn2C)CCN(CCc2ccccc2F)CC1.
What is the InChIKey of N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is HWBSLWDPVHGYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-3-22(32)31(20-10-5-4-6-11-20)24(23-26-27-28-29(23)2)14-17-30(18-15-24)16-13-19-9-7-8-12-21(19)25/h4-12H,3,13-18H2,1-2H3.
What are the key properties of N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 436.54 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluorophenyl)ethyl]-4-(1-methyltetrazol-5-yl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14426373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).