N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide

C22H29N7O2S — CID 14426414

IUPACN-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nccs2)CCN(CCn2nnn(CC)c2=O)CC1
InChIInChI=1S/C22H29N7O2S/c1-3-19(30)29(18-8-6-5-7-9-18)22(20-23-12-17-32-20)10-13-26(14-11-22)15-16-28-21(31)27(4-2)24-25-28/h5-9,12,17H,3-4,10-11,13-16H2,1-2H3
InChIKeyXDPBWUYSDQVRRF-UHFFFAOYSA-N
MW455.59 g/mol
LogP2.35
Rot. Bonds8

About N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide

N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 14426414) has the molecular formula C22H29N7O2S and a molecular weight of 455.59 g/mol. Its IUPAC name is N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID14426414
Molecular FormulaC22H29N7O2S
Molecular Weight455.59 g/mol
Exact Mass455.21
IUPAC NameN-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(c2nccs2)CCN(CCn2nnn(CC)c2=O)CC1
InChIInChI=1S/C22H29N7O2S/c1-3-19(30)29(18-8-6-5-7-9-18)22(20-23-12-17-32-20)10-13-26(14-11-22)15-16-28-21(31)27(4-2)24-25-28/h5-9,12,17H,3-4,10-11,13-16H2,1-2H3
InChIKeyXDPBWUYSDQVRRF-UHFFFAOYSA-N
XLogP2.35
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.59
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide (CID 14426414) is N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(c2nccs2)CCN(CCn2nnn(CC)c2=O)CC1.
What is the InChIKey of N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is XDPBWUYSDQVRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2S/c1-3-19(30)29(18-8-6-5-7-9-18)22(20-23-12-17-32-20)10-13-26(14-11-22)15-16-28-21(31)27(4-2)24-25-28/h5-9,12,17H,3-4,10-11,13-16H2,1-2H3.
What are the key properties of N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 455.59 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 14426414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).