1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide

C21H26ClN3O2 — CID 55887177

IUPAC1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-14(2)27-18-5-6-19(15(3)12-18)24-21(26)16-8-10-25(11-9-16)20-7-4-17(22)13-23-20/h4-7,12-14,16H,8-11H2,1-3H3,(H,24,26)
InChIKeyJUMWQLIJBSSMQR-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.69
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 55887177) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
PubChem CID55887177
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-14(2)27-18-5-6-19(15(3)12-18)24-21(26)16-8-10-25(11-9-16)20-7-4-17(22)13-23-20/h4-7,12-14,16H,8-11H2,1-3H3,(H,24,26)
InChIKeyJUMWQLIJBSSMQR-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 56582300
1-(5-chloro-2-pyridinyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55687112
methyl 3-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 38967933
N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60581329
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
1-(5-chloro-2-pyridinyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 38956071
1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 39466788
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 55876832
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
CID 126781633
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide (CID 55887177) is 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide is Cc1cc(OC(C)C)ccc1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is JUMWQLIJBSSMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-14(2)27-18-5-6-19(15(3)12-18)24-21(26)16-8-10-25(11-9-16)20-7-4-17(22)13-23-20/h4-7,12-14,16H,8-11H2,1-3H3,(H,24,26).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55887177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).