N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

C22H35ClN2O3 — CID 119729700

IUPACN-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C22H34N2O3.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;/h3-4,7,10,17-18,20,23H,5-6,8-9,11-16H2,1-2H3;1H
InChIKeyYSNGKTDEKBLLTC-UHFFFAOYSA-N
MW410.99 g/mol
LogP3.65
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119729700) has the molecular formula C22H35ClN2O3 and a molecular weight of 410.99 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119729700
Molecular FormulaC22H35ClN2O3
Molecular Weight410.99 g/mol
Exact Mass410.23
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C22H34N2O3.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;/h3-4,7,10,17-18,20,23H,5-6,8-9,11-16H2,1-2H3;1H
InChIKeyYSNGKTDEKBLLTC-UHFFFAOYSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119685027
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 119729721
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
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
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805637
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729719
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
CID 75910284
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119729700) is N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride is COc1ccccc1CN(CC1CCCO1)C(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is YSNGKTDEKBLLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3.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;/h3-4,7,10,17-18,20,23H,5-6,8-9,11-16H2,1-2H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 3.65, 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]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119729700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).