N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

C25H29N5O2S — CID 27453506

IUPACN-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N5O2S/c31-23(26-21-13-15-30(16-14-21)17-19-7-3-1-4-8-19)12-11-22-18-33-25(28-22)29-24(32)27-20-9-5-2-6-10-20/h1-10,18,21H,11-17H2,(H,26,31)(H2,27,28,29,32)
InChIKeyIPTKKGUIAMVEQR-UHFFFAOYSA-N
MW463.61 g/mol
LogP4.50
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (PubChem CID 27453506) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
PubChem CID27453506
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N5O2S/c31-23(26-21-13-15-30(16-14-21)17-19-7-3-1-4-8-19)12-11-22-18-33-25(28-22)29-24(32)27-20-9-5-2-6-10-20/h1-10,18,21H,11-17H2,(H,26,31)(H2,27,28,29,32)
InChIKeyIPTKKGUIAMVEQR-UHFFFAOYSA-N
XLogP4.50
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453362
N-cyclohexyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453366
N-[2-[[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide
CID 1030991
N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453444
N-[2-[[4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 1023898
3-phenyl-N-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]propanamide
CID 55738225
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea
CID 51726136
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
CID 42208796
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (CID 27453506) is N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The InChIKey is IPTKKGUIAMVEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c31-23(26-21-13-15-30(16-14-21)17-19-7-3-1-4-8-19)12-11-22-18-33-25(28-22)29-24(32)27-20-9-5-2-6-10-20/h1-10,18,21H,11-17H2,(H,26,31)(H2,27,28,29,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide has a molecular weight of 463.61 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27453506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).