N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

C21H31N3O3 — CID 134058368

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCOc1cccc(CN(C)C(=O)CN2CCC(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C21H31N3O3/c1-22(15-17-6-5-7-19(14-17)27-2)20(25)16-23-12-8-18(9-13-23)21(26)24-10-3-4-11-24/h5-7,14,18H,3-4,8-13,15-16H2,1-2H3
InChIKeyGTWXZTAHUBGICT-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.99
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (PubChem CID 134058368) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
PubChem CID134058368
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCOc1cccc(CN(C)C(=O)CN2CCC(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C21H31N3O3/c1-22(15-17-6-5-7-19(14-17)27-2)20(25)16-23-12-8-18(9-13-23)21(26)24-10-3-4-11-24/h5-7,14,18H,3-4,8-13,15-16H2,1-2H3
InChIKeyGTWXZTAHUBGICT-UHFFFAOYSA-N
XLogP1.99
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569893
2-[(4R)-1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]azepan-4-yl]acetic acid
CID 129489300
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 55412914
N-ethyl-4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 78827369
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
tert-butyl N-[[1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 56571118
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804
1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907657
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 26042498
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 25298064

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (CID 134058368) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is COc1cccc(CN(C)C(=O)CN2CCC(C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is GTWXZTAHUBGICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-22(15-17-6-5-7-19(14-17)27-2)20(25)16-23-12-8-18(9-13-23)21(26)24-10-3-4-11-24/h5-7,14,18H,3-4,8-13,15-16H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 134058368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).