(4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone

C19H29N3O — CID 75257598

IUPAC(4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone
SMILESCCCC1CC(C(=O)N2CCC(Cc3ccccc3)CC2)NN1
InChIInChI=1S/C19H29N3O/c1-2-6-17-14-18(21-20-17)19(23)22-11-9-16(10-12-22)13-15-7-4-3-5-8-15/h3-5,7-8,16-18,20-21H,2,6,9-14H2,1H3
InChIKeyNDDWMUDGJJBPGC-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.50
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone

(4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone (PubChem CID 75257598) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone
PubChem CID75257598
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone
SMILESCCCC1CC(C(=O)N2CCC(Cc3ccccc3)CC2)NN1
InChIInChI=1S/C19H29N3O/c1-2-6-17-14-18(21-20-17)19(23)22-11-9-16(10-12-22)13-15-7-4-3-5-8-15/h3-5,7-8,16-18,20-21H,2,6,9-14H2,1H3
InChIKeyNDDWMUDGJJBPGC-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidine-1-carbonyl)-1-phenylimidazolidin-2-one
CID 134795753
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
CID 109140121
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
(1S,2R,3R,4R)-3-(4-benzylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 756892
[(1S,5R)-3-benzoyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-propylpyrazolidin-3-yl)methanone
CID 133126967
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
2-[2-(5-propylpyrazolidine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 134081073
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone (CID 75257598) is (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone is CCCC1CC(C(=O)N2CCC(Cc3ccccc3)CC2)NN1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone?
The InChIKey is NDDWMUDGJJBPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-6-17-14-18(21-20-17)19(23)22-11-9-16(10-12-22)13-15-7-4-3-5-8-15/h3-5,7-8,16-18,20-21H,2,6,9-14H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone has a molecular weight of 315.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(5-propylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 75257598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).