N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide

C14H17N3O3 — CID 49286927

IUPACN-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C14H17N3O3/c1-20-13-5-4-10(8-15)7-12(13)16-14(19)17-6-2-3-11(18)9-17/h4-5,7,11,18H,2-3,6,9H2,1H3,(H,16,19)
InChIKeyNGAPXXVDLJCKSB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.56
Rot. Bonds2

About N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide

N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 49286927) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID49286927
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C14H17N3O3/c1-20-13-5-4-10(8-15)7-12(13)16-14(19)17-6-2-3-11(18)9-17/h4-5,7,11,18H,2-3,6,9H2,1H3,(H,16,19)
InChIKeyNGAPXXVDLJCKSB-UHFFFAOYSA-N
XLogP1.56
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-methoxyphenyl)-4-methylazepane-1-carboxamide
CID 49286681
1-[(5-cyano-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078336
N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 60569756
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 49286489
(5-cyano-2-methoxyphenyl)carbamic acid
CID 91205767
N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896566
(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 95601514
3-[(4-cyano-2-pyridinyl)oxymethyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 138988354
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
N-(5-cyano-2-methylphenyl)azepane-1-carboxamide
CID 78983990

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide (CID 49286927) is N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide is COc1ccc(C#N)cc1NC(=O)N1CCCC(O)C1.
What is the InChIKey of N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is NGAPXXVDLJCKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-13-5-4-10(8-15)7-12(13)16-14(19)17-6-2-3-11(18)9-17/h4-5,7,11,18H,2-3,6,9H2,1H3,(H,16,19).
What are the key properties of N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide?
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 49286927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).