N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide

C25H35N5O — CID 123142315

IUPACN-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
SMILESCN(CCN1CCCCC1)C(=O)c1ccc(CN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C25H35N5O/c1-27(15-16-28-13-3-2-4-14-28)25(31)23-7-5-22(6-8-23)21-29-17-19-30(20-18-29)24-9-11-26-12-10-24/h5-12H,2-4,13-21H2,1H3
InChIKeyHNCCNYSLJUHJPN-UHFFFAOYSA-N
MW421.59 g/mol
LogP2.96
Rot. Bonds7

About N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide

N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide (PubChem CID 123142315) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
PubChem CID123142315
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC NameN-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
SMILESCN(CCN1CCCCC1)C(=O)c1ccc(CN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C25H35N5O/c1-27(15-16-28-13-3-2-4-14-28)25(31)23-7-5-22(6-8-23)21-29-17-19-30(20-18-29)24-9-11-26-12-10-24/h5-12H,2-4,13-21H2,1H3
InChIKeyHNCCNYSLJUHJPN-UHFFFAOYSA-N
XLogP2.96
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 74234746
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 27807625
4-[(2-hydroxyethylamino)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123201796
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
N-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 123284292
4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434293
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72912208

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide (CID 123142315) is N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide is CN(CCN1CCCCC1)C(=O)c1ccc(CN2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide?
The InChIKey is HNCCNYSLJUHJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-27(15-16-28-13-3-2-4-14-28)25(31)23-7-5-22(6-8-23)21-29-17-19-30(20-18-29)24-9-11-26-12-10-24/h5-12H,2-4,13-21H2,1H3.
What are the key properties of N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide?
N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide has a molecular weight of 421.59 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 123142315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).