N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide

C18H26N2O3 — CID 1446520

IUPACN-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
SMILESCOc1cccc(C2(O)CCN(CC(=O)NCC3CC3)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-16-4-2-3-15(11-16)18(22)7-9-20(10-8-18)13-17(21)19-12-14-5-6-14/h2-4,11,14,22H,5-10,12-13H2,1H3,(H,19,21)
InChIKeyFWLCPBJHWKXKTR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.50
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide

N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide (PubChem CID 1446520) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
PubChem CID1446520
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide
SMILESCOc1cccc(C2(O)CCN(CC(=O)NCC3CC3)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-16-4-2-3-15(11-16)18(22)7-9-20(10-8-18)13-17(21)19-12-14-5-6-14/h2-4,11,14,22H,5-10,12-13H2,1H3,(H,19,21)
InChIKeyFWLCPBJHWKXKTR-UHFFFAOYSA-N
XLogP1.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide (CID 1446520) is N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide is COc1cccc(C2(O)CCN(CC(=O)NCC3CC3)CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide?
The InChIKey is FWLCPBJHWKXKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-16-4-2-3-15(11-16)18(22)7-9-20(10-8-18)13-17(21)19-12-14-5-6-14/h2-4,11,14,22H,5-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1446520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).