N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride

C22H31ClN2O2S — CID 119685027

IUPACN-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C22H30N2O2S.ClH/c1-17(18-8-5-11-23-14-18)13-22(25)24(16-20-9-6-12-27-20)15-19-7-3-4-10-21(19)26-2;/h3-4,6-7,9-10,12,17-18,23H,5,8,11,13-16H2,1-2H3;1H
InChIKeyXLTTUSPUKDRRNB-UHFFFAOYSA-N
MW423.02 g/mol
LogP4.73
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride

N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride (PubChem CID 119685027) has the molecular formula C22H31ClN2O2S and a molecular weight of 423.02 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
PubChem CID119685027
Molecular FormulaC22H31ClN2O2S
Molecular Weight423.02 g/mol
Exact Mass422.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C22H30N2O2S.ClH/c1-17(18-8-5-11-23-14-18)13-22(25)24(16-20-9-6-12-27-20)15-19-7-3-4-10-21(19)26-2;/h3-4,6-7,9-10,12,17-18,23H,5,8,11,13-16H2,1-2H3;1H
InChIKeyXLTTUSPUKDRRNB-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.02
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729700
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119268854
1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119758347
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
N-benzyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119681552
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride (CID 119685027) is N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride is COc1ccccc1CN(Cc1cccs1)C(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
The InChIKey is XLTTUSPUKDRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S.ClH/c1-17(18-8-5-11-23-14-18)13-22(25)24(16-20-9-6-12-27-20)15-19-7-3-4-10-21(19)26-2;/h3-4,6-7,9-10,12,17-18,23H,5,8,11,13-16H2,1-2H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride?
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride has a molecular weight of 423.02 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119685027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).