2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane

C24H37ClN2O2 — CID 143210765

IUPAC2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane
SMILESC#CO.CCC.Cc1ccc(C(=O)NCC2(CC3CC3)CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C19H27ClN2O.C3H8.C2H2O/c1-14-3-6-16(17(20)11-14)18(23)21-13-19(12-15-4-5-15)7-9-22(2)10-8-19;1-3-2;1-2-3/h3,6,11,15H,4-5,7-10,12-13H2,1-2H3,(H,21,23);3H2,1-2H3;1,3H
InChIKeyNFRKRZWWXAJBSB-UHFFFAOYSA-N
MW421.03 g/mol
LogP5.26
Rot. Bonds5

About 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane

2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane (PubChem CID 143210765) has the molecular formula C24H37ClN2O2 and a molecular weight of 421.03 g/mol. Its IUPAC name is 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane.

Molecular Properties

Compound Name2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane
PubChem CID143210765
Molecular FormulaC24H37ClN2O2
Molecular Weight421.03 g/mol
Exact Mass420.25
IUPAC Name2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane
SMILESC#CO.CCC.Cc1ccc(C(=O)NCC2(CC3CC3)CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C19H27ClN2O.C3H8.C2H2O/c1-14-3-6-16(17(20)11-14)18(23)21-13-19(12-15-4-5-15)7-9-22(2)10-8-19;1-3-2;1-2-3/h3,6,11,15H,4-5,7-10,12-13H2,1-2H3,(H,21,23);3H2,1-2H3;1,3H
InChIKeyNFRKRZWWXAJBSB-UHFFFAOYSA-N
XLogP5.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.03
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide
CID 59471582
2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide
CID 143467111
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
CID 15951943
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
CID 106861279
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
2-chloro-4-methyl-N-[(4-piperidin-1-yl-1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 143452817
2-chloro-N-(2-chloro-3-methylbutyl)-4-methylbenzamide
CID 106864028
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane?
The IUPAC name of 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane (CID 143210765) is 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane.
What is the SMILES notation for 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane?
The canonical SMILES for 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane is C#CO.CCC.Cc1ccc(C(=O)NCC2(CC3CC3)CCN(C)CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane?
The InChIKey is NFRKRZWWXAJBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O.C3H8.C2H2O/c1-14-3-6-16(17(20)11-14)18(23)21-13-19(12-15-4-5-15)7-9-22(2)10-8-19;1-3-2;1-2-3/h3,6,11,15H,4-5,7-10,12-13H2,1-2H3,(H,21,23);3H2,1-2H3;1,3H.
What are the key properties of 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane?
2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane has a molecular weight of 421.03 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane is sourced from PubChem (CID 143210765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).