4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

C23H29N5O — CID 17469934

IUPAC4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1
InChIInChI=1S/C23H29N5O/c1-18-11-15-27(16-12-18)14-4-13-24-23(29)20-9-7-19(8-10-20)17-28-22-6-3-2-5-21(22)25-26-28/h2-3,5-10,18H,4,11-17H2,1H3,(H,24,29)
InChIKeyBWXDXQGATCBQQY-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.33
Rot. Bonds7

About 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 17469934) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID17469934
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCC1CCN(CCCNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1
InChIInChI=1S/C23H29N5O/c1-18-11-15-27(16-12-18)14-4-13-24-23(29)20-9-7-19(8-10-20)17-28-22-6-3-2-5-21(22)25-26-28/h2-3,5-10,18H,4,11-17H2,1H3,(H,24,29)
InChIKeyBWXDXQGATCBQQY-UHFFFAOYSA-N
XLogP3.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(benzotriazol-1-ylmethyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907384
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
1-[(4-methoxyphenyl)methyl]-N-(3-piperidin-1-ylpropyl)benzotriazole-5-carboxamide
CID 53111224
1-[2-(4-methylpiperidin-1-yl)ethyl]benzotriazole
CID 22989594
[4-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8948581
4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 26928258
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9088736
4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 30541364
3-benzyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 9051599
N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43910415
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 17469934) is 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is CC1CCN(CCCNC(=O)c2ccc(Cn3nnc4ccccc43)cc2)CC1.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is BWXDXQGATCBQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-18-11-15-27(16-12-18)14-4-13-24-23(29)20-9-7-19(8-10-20)17-28-22-6-3-2-5-21(22)25-26-28/h2-3,5-10,18H,4,11-17H2,1H3,(H,24,29).
What are the key properties of 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 391.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 17469934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).