1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide

C14H19ClN2O2 — CID 9443435

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-3-2-12(15)8-11(13)9-17-6-4-10(5-7-17)14(16)18/h2-3,8,10H,4-7,9H2,1H3,(H2,16,18)
InChIKeyBHGZBQDTXKFBAG-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.05
Rot. Bonds4

About 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 9443435) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID9443435
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19ClN2O2/c1-19-13-3-2-12(15)8-11(13)9-17-6-4-10(5-7-17)14(16)18/h2-3,8,10H,4-7,9H2,1H3,(H2,16,18)
InChIKeyBHGZBQDTXKFBAG-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 175978099
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
(3-aminocyclohexyl)-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119843700
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120632580
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55687589
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
(3S)-1-[(2,5-dichloro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 97332108

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 9443435) is 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BHGZBQDTXKFBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-13-3-2-12(15)8-11(13)9-17-6-4-10(5-7-17)14(16)18/h2-3,8,10H,4-7,9H2,1H3,(H2,16,18).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 9443435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).