N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide

C19H29N3OS — CID 26409604

IUPACN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C19H29N3OS/c1-21-12-9-17(10-13-21)22-11-3-4-16(14-22)20-19(23)15-5-7-18(24-2)8-6-15/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeySFFPWBSMJLHATP-MRXNPFEDSA-N
MW347.53 g/mol
LogP2.70
Rot. Bonds4

About N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide

N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide (PubChem CID 26409604) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
PubChem CID26409604
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC NameN-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C19H29N3OS/c1-21-12-9-17(10-13-21)22-11-3-4-16(14-22)20-19(23)15-5-7-18(24-2)8-6-15/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeySFFPWBSMJLHATP-MRXNPFEDSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 28733201
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
CID 30851817
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methylsulfanylbenzamide
CID 78876366
3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
CID 171357990
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-4-methylsulfanylbenzamide
CID 57443212
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29085480
5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 45233020
4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
CID 118711000
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(difluoromethylsulfanyl)benzamide
CID 94796573

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide (CID 26409604) is N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)cc1.
What is the InChIKey of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide?
The InChIKey is SFFPWBSMJLHATP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-21-12-9-17(10-13-21)22-11-3-4-16(14-22)20-19(23)15-5-7-18(24-2)8-6-15/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide?
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide has a molecular weight of 347.53 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 26409604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).