N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide

C20H31N3O3 — CID 154779710

IUPACN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)C3CN(C)CCO3)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-22-11-12-26-19(15-22)20(24)21-13-16-7-9-23(10-8-16)14-17-3-5-18(25-2)6-4-17/h3-6,16,19H,7-15H2,1-2H3,(H,21,24)
InChIKeyYGSZMUCRTNIZCC-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.35
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide (PubChem CID 154779710) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
PubChem CID154779710
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCOc1ccc(CN2CCC(CNC(=O)C3CN(C)CCO3)CC2)cc1
InChIInChI=1S/C20H31N3O3/c1-22-11-12-26-19(15-22)20(24)21-13-16-7-9-23(10-8-16)14-17-3-5-18(25-2)6-4-17/h3-6,16,19H,7-15H2,1-2H3,(H,21,24)
InChIKeyYGSZMUCRTNIZCC-UHFFFAOYSA-N
XLogP1.35
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
CID 154738097
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956
(4S)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4H-1,3-benzodioxine-4-carboxamide
CID 51498165
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119865523
(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383921
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 100729262
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide (CID 154779710) is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide is COc1ccc(CN2CCC(CNC(=O)C3CN(C)CCO3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is YGSZMUCRTNIZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-22-11-12-26-19(15-22)20(24)21-13-16-7-9-23(10-8-16)14-17-3-5-18(25-2)6-4-17/h3-6,16,19H,7-15H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide?
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 154779710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).