N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide

C26H30N4O2S — CID 46455672

IUPACN-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)c(C)c12
InChIInChI=1S/C26H30N4O2S/c1-16-22-17(2)27-24(19-9-10-19)29-25(22)33-23(16)26(32)30-14-12-20(13-15-30)28-21(31)11-8-18-6-4-3-5-7-18/h3-7,19-20H,8-15H2,1-2H3,(H,28,31)
InChIKeyRARMFKMXYJCDST-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.54
Rot. Bonds6

About N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide

N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 46455672) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID46455672
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)c(C)c12
InChIInChI=1S/C26H30N4O2S/c1-16-22-17(2)27-24(19-9-10-19)29-25(22)33-23(16)26(32)30-14-12-20(13-15-30)28-21(31)11-8-18-6-4-3-5-7-18/h3-7,19-20H,8-15H2,1-2H3,(H,28,31)
InChIKeyRARMFKMXYJCDST-UHFFFAOYSA-N
XLogP4.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46443321
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
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
(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30767971
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508
N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24665431
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide (CID 46455672) is N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide is Cc1nc(C2CC2)nc2sc(C(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)c(C)c12.
What is the InChIKey of N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is RARMFKMXYJCDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-16-22-17(2)27-24(19-9-10-19)29-25(22)33-23(16)26(32)30-14-12-20(13-15-30)28-21(31)11-8-18-6-4-3-5-7-18/h3-7,19-20H,8-15H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide?
N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 462.62 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 46455672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).