(5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone

C21H25ClN2O2 — CID 134106072

IUPAC(5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone
SMILESCCCOc1ccc(CN2CCC(C(=O)c3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-2-13-26-19-6-3-16(4-7-19)15-24-11-9-17(10-12-24)21(25)20-8-5-18(22)14-23-20/h3-8,14,17H,2,9-13,15H2,1H3
InChIKeyZRDOLHJJFBHINC-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.62
Rot. Bonds7

About (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone

(5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone (PubChem CID 134106072) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone
PubChem CID134106072
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name(5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone
SMILESCCCOc1ccc(CN2CCC(C(=O)c3ccc(Cl)cn3)CC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-2-13-26-19-6-3-16(4-7-19)15-24-11-9-17(10-12-24)21(25)20-8-5-18(22)14-23-20/h3-8,14,17H,2,9-13,15H2,1H3
InChIKeyZRDOLHJJFBHINC-UHFFFAOYSA-N
XLogP4.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10180603
[1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 171984960
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926
1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848362
N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
CID 115299984
N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]propan-1-one
CID 83980778
4-butoxy-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55428317
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone (CID 134106072) is (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone is CCCOc1ccc(CN2CCC(C(=O)c3ccc(Cl)cn3)CC2)cc1.
What is the InChIKey of (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is ZRDOLHJJFBHINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-2-13-26-19-6-3-16(4-7-19)15-24-11-9-17(10-12-24)21(25)20-8-5-18(22)14-23-20/h3-8,14,17H,2,9-13,15H2,1H3.
What are the key properties of (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone?
(5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 372.90 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 134106072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).