N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide

C21H25N3O — CID 113015446

IUPACN-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)nc1)C1CC1
InChIInChI=1S/C21H25N3O/c25-21(18-6-7-18)23-19-8-9-20(22-15-19)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-5,8-9,15,17-18H,6-7,10-14H2,(H,23,25)
InChIKeyNZRFPCUBFFKACR-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.89
Rot. Bonds5

About N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide

N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 113015446) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
PubChem CID113015446
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)nc1)C1CC1
InChIInChI=1S/C21H25N3O/c25-21(18-6-7-18)23-19-8-9-20(22-15-19)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-5,8-9,15,17-18H,6-7,10-14H2,(H,23,25)
InChIKeyNZRFPCUBFFKACR-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113015459
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
CID 113015482
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
1-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-3-carboxamide
CID 55986688
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034
N-[6-[4-[(2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42857578
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide (CID 113015446) is N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)nc1)C1CC1.
What is the InChIKey of N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is NZRFPCUBFFKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(18-6-7-18)23-19-8-9-20(22-15-19)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-5,8-9,15,17-18H,6-7,10-14H2,(H,23,25).
What are the key properties of N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide?
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113015446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).