N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide

C23H37N3O — CID 28956164

IUPACN-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C23H37N3O/c1-4-25(23(27)17-21-7-5-6-19(2)16-21)18-20-8-14-26(15-9-20)22-10-12-24(3)13-11-22/h5-7,16,20,22H,4,8-15,17-18H2,1-3H3
InChIKeyNRPMIVYJWQFDKK-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.19
Rot. Bonds6

About N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide

N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 28956164) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID28956164
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC NameN-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C23H37N3O/c1-4-25(23(27)17-21-7-5-6-19(2)16-21)18-20-8-14-26(15-9-20)22-10-12-24(3)13-11-22/h5-7,16,20,22H,4,8-15,17-18H2,1-3H3
InChIKeyNRPMIVYJWQFDKK-UHFFFAOYSA-N
XLogP3.19
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 56706021
N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 26318475
N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
CID 86976376
2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 72928763
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110710559
(E)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 31018641
2-(3-methylphenyl)-1-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 167903948
(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 29258017
N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 26402693
N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 30852616
(2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide
CID 72851020
3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 29107091

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 28956164) is N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide is CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is NRPMIVYJWQFDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-4-25(23(27)17-21-7-5-6-19(2)16-21)18-20-8-14-26(15-9-20)22-10-12-24(3)13-11-22/h5-7,16,20,22H,4,8-15,17-18H2,1-3H3.
What are the key properties of N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 371.57 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 28956164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).