N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide

C19H24N2O2S — CID 87003686

IUPACN-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(OCc3ccccc3)CC2)s1
InChIInChI=1S/C19H24N2O2S/c1-15-7-8-18(24-15)13-20-19(22)21-11-9-17(10-12-21)23-14-16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3,(H,20,22)
InChIKeySQAYJKNUDISAKE-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.95
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide (PubChem CID 87003686) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
PubChem CID87003686
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(OCc3ccccc3)CC2)s1
InChIInChI=1S/C19H24N2O2S/c1-15-7-8-18(24-15)13-20-19(22)21-11-9-17(10-12-21)23-14-16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3,(H,20,22)
InChIKeySQAYJKNUDISAKE-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
1-N-[(5-methylthiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 47238607
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
CID 120587581
4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
CID 91918376
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 118764730
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide (CID 87003686) is N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCC(OCc3ccccc3)CC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
The InChIKey is SQAYJKNUDISAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-7-8-18(24-15)13-20-19(22)21-11-9-17(10-12-21)23-14-16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3,(H,20,22).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide is sourced from PubChem (CID 87003686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).