N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

C18H29ClN2O2 — CID 119339576

IUPACN-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-4-14(3)22-17-10-13(2)7-8-15(17)12-20-18(21)16-6-5-9-19-11-16;/h7-8,10,14,16,19H,4-6,9,11-12H2,1-3H3,(H,20,21);1H
InChIKeyNLORFCAZDJNETJ-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.21
Rot. Bonds6

About N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119339576) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119339576
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)Oc1cc(C)ccc1CNC(=O)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-4-14(3)22-17-10-13(2)7-8-15(17)12-20-18(21)16-6-5-9-19-11-16;/h7-8,10,14,16,19H,4-6,9,11-12H2,1-3H3,(H,20,21);1H
InChIKeyNLORFCAZDJNETJ-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339701
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016193
N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]piperidine-3-carboxamide
CID 119338921
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119811706
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119811574
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119321028
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336
N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339713

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119339576) is N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is CCC(C)Oc1cc(C)ccc1CNC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NLORFCAZDJNETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-4-14(3)22-17-10-13(2)7-8-15(17)12-20-18(21)16-6-5-9-19-11-16;/h7-8,10,14,16,19H,4-6,9,11-12H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119339576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).