4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide

C27H39N5O — CID 29084977

IUPAC4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCN1CCC(N2CCC(CN(Cc3ccncc3)C(=O)c3ccc(N(C)C)cc3)CC2)CC1
InChIInChI=1S/C27H39N5O/c1-29(2)25-6-4-24(5-7-25)27(33)32(20-22-8-14-28-15-9-22)21-23-10-18-31(19-11-23)26-12-16-30(3)17-13-26/h4-9,14-15,23,26H,10-13,16-21H2,1-3H3
InChIKeyRMXLYKICNSQOQM-UHFFFAOYSA-N
MW449.64 g/mol
LogP3.60
Rot. Bonds7

About 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide

4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 29084977) has the molecular formula C27H39N5O and a molecular weight of 449.64 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID29084977
Molecular FormulaC27H39N5O
Molecular Weight449.64 g/mol
Exact Mass449.32
IUPAC Name4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCN1CCC(N2CCC(CN(Cc3ccncc3)C(=O)c3ccc(N(C)C)cc3)CC2)CC1
InChIInChI=1S/C27H39N5O/c1-29(2)25-6-4-24(5-7-25)27(33)32(20-22-8-14-28-15-9-22)21-23-10-18-31(19-11-23)26-12-16-30(3)17-13-26/h4-9,14-15,23,26H,10-13,16-21H2,1-3H3
InChIKeyRMXLYKICNSQOQM-UHFFFAOYSA-N
XLogP3.60
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide with MolForge

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Related Compounds

N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 26402693
3-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 29107091
(2R)-2-amino-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)propanamide
CID 72851020
2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 72928763
(E)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 31018641
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 29150071
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91772553
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 28956164
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
[4-(dimethylamino)phenyl]-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 99948127

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 29084977) is 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide is CN1CCC(N2CCC(CN(Cc3ccncc3)C(=O)c3ccc(N(C)C)cc3)CC2)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is RMXLYKICNSQOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O/c1-29(2)25-6-4-24(5-7-25)27(33)32(20-22-8-14-28-15-9-22)21-23-10-18-31(19-11-23)26-12-16-30(3)17-13-26/h4-9,14-15,23,26H,10-13,16-21H2,1-3H3.
What are the key properties of 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 449.64 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 29084977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).