N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

C18H24N4OS — CID 47071729

IUPACN-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C18H24N4OS/c23-18(19-8-4-7-16-5-2-1-3-6-16)22-11-9-21(10-12-22)13-17-14-24-15-20-17/h1-3,5-6,14-15H,4,7-13H2,(H,19,23)
InChIKeyNRTUXOHERSFHEK-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.60
Rot. Bonds6

About N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 47071729) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
PubChem CID47071729
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C18H24N4OS/c23-18(19-8-4-7-16-5-2-1-3-6-16)22-11-9-21(10-12-22)13-17-14-24-15-20-17/h1-3,5-6,14-15H,4,7-13H2,(H,19,23)
InChIKeyNRTUXOHERSFHEK-UHFFFAOYSA-N
XLogP2.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 51125406
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
4-(furan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113106387
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 31065316
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
(2R)-N-benzyl-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propanamide
CID 94809792
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 86912616
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182
4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (CID 47071729) is N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NRTUXOHERSFHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-18(19-8-4-7-16-5-2-1-3-6-16)22-11-9-21(10-12-22)13-17-14-24-15-20-17/h1-3,5-6,14-15H,4,7-13H2,(H,19,23).
What are the key properties of N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47071729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).