N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide

C20H26N4O2S — CID 55692508

IUPACN-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCNc1snc(C)c1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2S/c1-14-18(19(21-2)27-23-14)20(26)24-12-10-16(11-13-24)22-17(25)9-8-15-6-4-3-5-7-15/h3-7,16,21H,8-13H2,1-2H3,(H,22,25)
InChIKeyKZROYFZCCKXAME-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.85
Rot. Bonds6

About N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55692508) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55692508
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCNc1snc(C)c1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2S/c1-14-18(19(21-2)27-23-14)20(26)24-12-10-16(11-13-24)22-17(25)9-8-15-6-4-3-5-7-15/h3-7,16,21H,8-13H2,1-2H3,(H,22,25)
InChIKeyKZROYFZCCKXAME-UHFFFAOYSA-N
XLogP2.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 27449294
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455672
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692259
N-[1-[4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55965592
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455742
N-[1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455348

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide (CID 55692508) is N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide is CNc1snc(C)c1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is KZROYFZCCKXAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14-18(19(21-2)27-23-14)20(26)24-12-10-16(11-13-24)22-17(25)9-8-15-6-4-3-5-7-15/h3-7,16,21H,8-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 386.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55692508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).