N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide

C18H27N3O4 — CID 134332458

IUPACN-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide
SMILESCOc1cc(N2CCC(C(O)N3CCOCC3)CC2)ccc1NC=O
InChIInChI=1S/C18H27N3O4/c1-24-17-12-15(2-3-16(17)19-13-22)20-6-4-14(5-7-20)18(23)21-8-10-25-11-9-21/h2-3,12-14,18,23H,4-11H2,1H3,(H,19,22)
InChIKeyAMWGVRNZYYMEJN-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.13
Rot. Bonds6

About N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide

N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide (PubChem CID 134332458) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide
PubChem CID134332458
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide
SMILESCOc1cc(N2CCC(C(O)N3CCOCC3)CC2)ccc1NC=O
InChIInChI=1S/C18H27N3O4/c1-24-17-12-15(2-3-16(17)19-13-22)20-6-4-14(5-7-20)18(23)21-8-10-25-11-9-21/h2-3,12-14,18,23H,4-11H2,1H3,(H,19,22)
InChIKeyAMWGVRNZYYMEJN-UHFFFAOYSA-N
XLogP1.13
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide?
The IUPAC name of N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide (CID 134332458) is N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide.
What is the SMILES notation for N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide?
The canonical SMILES for N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide is COc1cc(N2CCC(C(O)N3CCOCC3)CC2)ccc1NC=O.
What is the InChIKey of N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide?
The InChIKey is AMWGVRNZYYMEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-24-17-12-15(2-3-16(17)19-13-22)20-6-4-14(5-7-20)18(23)21-8-10-25-11-9-21/h2-3,12-14,18,23H,4-11H2,1H3,(H,19,22).
What are the key properties of N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide?
N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide has a molecular weight of 349.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[hydroxy(morpholin-4-yl)methyl]piperidin-1-yl]-2-methoxyphenyl]formamide is sourced from PubChem (CID 134332458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).