4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

C21H33N3O — CID 94022375

IUPAC4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESC[C@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCCC3)cc2)C1
InChIInChI=1S/C21H33N3O/c1-18-6-4-14-24(16-18)17-19-7-9-20(10-8-19)21(25)22-11-5-15-23-12-2-3-13-23/h7-10,18H,2-6,11-17H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyUGNFZCIVUXREEA-SFHVURJKSA-N
MW343.51 g/mol
LogP3.13
Rot. Bonds7

About 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 94022375) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID94022375
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESC[C@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCCC3)cc2)C1
InChIInChI=1S/C21H33N3O/c1-18-6-4-14-24(16-18)17-19-7-9-20(10-8-19)21(25)22-11-5-15-23-12-2-3-13-23/h7-10,18H,2-6,11-17H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyUGNFZCIVUXREEA-SFHVURJKSA-N
XLogP3.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
N-(3-ethoxypropyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684727
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
CID 93490121
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
N-[2-(4-methylphenoxy)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 94020974
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 94022375) is 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide is C[C@H]1CCCN(Cc2ccc(C(=O)NCCCN3CCCC3)cc2)C1.
What is the InChIKey of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is UGNFZCIVUXREEA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N3O/c1-18-6-4-14-24(16-18)17-19-7-9-20(10-8-19)21(25)22-11-5-15-23-12-2-3-13-23/h7-10,18H,2-6,11-17H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide?
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 343.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 94022375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).