N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide

C25H34N2OS — CID 134592344

IUPACN-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide
SMILESCCc1ccccc1[C@@]1(C)CCN(CC2CC2)[C@H](C)[C@H]1N(C)C(=O)c1ccsc1
InChIInChI=1S/C25H34N2OS/c1-5-20-8-6-7-9-22(20)25(3)13-14-27(16-19-10-11-19)18(2)23(25)26(4)24(28)21-12-15-29-17-21/h6-9,12,15,17-19,23H,5,10-11,13-14,16H2,1-4H3/t18-,23-,25-/m1/s1
InChIKeySSLTZLUXPAUMNF-DVKBMCPXSA-N
MW410.63 g/mol
LogP5.21
Rot. Bonds6

About N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide

N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide (PubChem CID 134592344) has the molecular formula C25H34N2OS and a molecular weight of 410.63 g/mol. Its IUPAC name is N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide
PubChem CID134592344
Molecular FormulaC25H34N2OS
Molecular Weight410.63 g/mol
Exact Mass410.24
IUPAC NameN-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide
SMILESCCc1ccccc1[C@@]1(C)CCN(CC2CC2)[C@H](C)[C@H]1N(C)C(=O)c1ccsc1
InChIInChI=1S/C25H34N2OS/c1-5-20-8-6-7-9-22(20)25(3)13-14-27(16-19-10-11-19)18(2)23(25)26(4)24(28)21-12-15-29-17-21/h6-9,12,15,17-19,23H,5,10-11,13-14,16H2,1-4H3/t18-,23-,25-/m1/s1
InChIKeySSLTZLUXPAUMNF-DVKBMCPXSA-N
XLogP5.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.63
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide (CID 134592344) is N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide is CCc1ccccc1[C@@]1(C)CCN(CC2CC2)[C@H](C)[C@H]1N(C)C(=O)c1ccsc1.
What is the InChIKey of N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide?
The InChIKey is SSLTZLUXPAUMNF-DVKBMCPXSA-N. The full InChI is InChI=1S/C25H34N2OS/c1-5-20-8-6-7-9-22(20)25(3)13-14-27(16-19-10-11-19)18(2)23(25)26(4)24(28)21-12-15-29-17-21/h6-9,12,15,17-19,23H,5,10-11,13-14,16H2,1-4H3/t18-,23-,25-/m1/s1.
What are the key properties of N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide?
N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide has a molecular weight of 410.63 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R)-1-(cyclopropylmethyl)-4-(2-ethylphenyl)-2,4-dimethylpiperidin-3-yl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 134592344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).