N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide

C18H28N2O3 — CID 119730501

IUPACN-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccccc1C(O)CNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H28N2O3/c1-13(14-7-9-19-10-8-14)11-18(22)20-12-16(21)15-5-3-4-6-17(15)23-2/h3-6,13-14,16,19,21H,7-12H2,1-2H3,(H,20,22)
InChIKeyMFTCBZUNRCSLDR-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.87
Rot. Bonds7

About N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide

N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119730501) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119730501
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccccc1C(O)CNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H28N2O3/c1-13(14-7-9-19-10-8-14)11-18(22)20-12-16(21)15-5-3-4-6-17(15)23-2/h3-6,13-14,16,19,21H,7-12H2,1-2H3,(H,20,22)
InChIKeyMFTCBZUNRCSLDR-UHFFFAOYSA-N
XLogP1.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119776288
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 119293173
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide
CID 119810004
N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725486
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide (CID 119730501) is N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide is COc1ccccc1C(O)CNC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is MFTCBZUNRCSLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(14-7-9-19-10-8-14)11-18(22)20-12-16(21)15-5-3-4-6-17(15)23-2/h3-6,13-14,16,19,21H,7-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 320.43 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119730501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).