N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide

C20H30N2O3 — CID 119763434

IUPACN-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CCNCC1
InChIInChI=1S/C20H30N2O3/c1-24-20(11-13-21-14-12-20)19(23)22-17-7-9-18(10-8-17)25-15-16-5-3-2-4-6-16/h7-10,16,21H,2-6,11-15H2,1H3,(H,22,23)
InChIKeyDQQWLMBSLTUACY-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.35
Rot. Bonds6

About N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide

N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119763434) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119763434
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CCNCC1
InChIInChI=1S/C20H30N2O3/c1-24-20(11-13-21-14-12-20)19(23)22-17-7-9-18(10-8-17)25-15-16-5-3-2-4-6-16/h7-10,16,21H,2-6,11-15H2,1H3,(H,22,23)
InChIKeyDQQWLMBSLTUACY-UHFFFAOYSA-N
XLogP3.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120629418
N-(4-cyclopentyloxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714806
N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119680034
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate
CID 119784210
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119713374
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119841235
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119752834
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide (CID 119763434) is N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CCNCC1.
What is the InChIKey of N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is DQQWLMBSLTUACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-20(11-13-21-14-12-20)19(23)22-17-7-9-18(10-8-17)25-15-16-5-3-2-4-6-16/h7-10,16,21H,2-6,11-15H2,1H3,(H,22,23).
What are the key properties of N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide?
N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethoxy)phenyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119763434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).