N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide

C19H29N3O2 — CID 56896686

IUPACN-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
SMILESCN1CCC(N(CCc2ccccc2)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-20-10-8-18(9-11-20)22(12-7-17-5-3-2-4-6-17)19(23)21-13-15-24-16-14-21/h2-6,18H,7-16H2,1H3
InChIKeyPOXCFMURTLONSC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.08
Rot. Bonds4

About N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide

N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide (PubChem CID 56896686) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
PubChem CID56896686
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
SMILESCN1CCC(N(CCc2ccccc2)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-20-10-8-18(9-11-20)22(12-7-17-5-3-2-4-6-17)19(23)21-13-15-24-16-14-21/h2-6,18H,7-16H2,1H3
InChIKeyPOXCFMURTLONSC-UHFFFAOYSA-N
XLogP2.08
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)-2-morpholin-3-yl-N-(2-phenylethyl)acetamide;dihydrochloride
CID 154893914
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide
CID 56915066
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-(1-methylpiperidin-4-yl)-2,4-dioxo-N-(2-phenylethyl)-1H-pyrimidine-5-carboxamide
CID 70720010
2-amino-4-methyl-N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 70750602
2-morpholin-4-ylethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175010495
N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 97015367
N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-phenylpropyl)acetamide
CID 113165782
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-yl-N-(2-phenylethyl)-2-pyridin-3-ylacetamide
CID 45182987

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide (CID 56896686) is N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide is CN1CCC(N(CCc2ccccc2)C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide?
The InChIKey is POXCFMURTLONSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-20-10-8-18(9-11-20)22(12-7-17-5-3-2-4-6-17)19(23)21-13-15-24-16-14-21/h2-6,18H,7-16H2,1H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide?
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 56896686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).