(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate

C16H29N3O3 — CID 142228112

IUPAC(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC(C)/C(=N/C(=O)OCC1CCN(C)CC1)N1CCOCC1
InChIInChI=1S/C16H29N3O3/c1-13(2)15(19-8-10-21-11-9-19)17-16(20)22-12-14-4-6-18(3)7-5-14/h13-14H,4-12H2,1-3H3/b17-15-
InChIKeyJZZFHUYAIPTDME-ICFOKQHNSA-N
MW311.43 g/mol
LogP1.85
Rot. Bonds3

About (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate

(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate (PubChem CID 142228112) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
PubChem CID142228112
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
SMILESCC(C)/C(=N/C(=O)OCC1CCN(C)CC1)N1CCOCC1
InChIInChI=1S/C16H29N3O3/c1-13(2)15(19-8-10-21-11-9-19)17-16(20)22-12-14-4-6-18(3)7-5-14/h13-14H,4-12H2,1-3H3/b17-15-
InChIKeyJZZFHUYAIPTDME-ICFOKQHNSA-N
XLogP1.85
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate
CID 142123394
oxan-4-ylmethyl N-(1-morpholin-4-ylpropylidene)carbamate
CID 71154595
oxan-4-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148449
cyclobutylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
CID 142228095
(1-ethylpiperidin-4-yl)methyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 72625281
oxolan-3-ylmethyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148450
2-methylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 59040980
cyclohexylmethyl N-[[[2-[(4-cyano-1-methylpiperidin-4-yl)carbamoyl]cyclohexyl]-ethylamino]-morpholin-4-ylmethylidene]carbamate
CID 91431605
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
3,4-dihydro-2H-pyran-4-ylmethyl (NZ)-N-(2-methyl-1-morpholin-4-ylprop-2-enylidene)carbamate
CID 142228150
2-morpholin-4-ylethyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate (CID 142228112) is (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate is CC(C)/C(=N/C(=O)OCC1CCN(C)CC1)N1CCOCC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate?
The InChIKey is JZZFHUYAIPTDME-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13(2)15(19-8-10-21-11-9-19)17-16(20)22-12-14-4-6-18(3)7-5-14/h13-14H,4-12H2,1-3H3/b17-15-.
What are the key properties of (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate?
(1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate has a molecular weight of 311.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl (NZ)-N-(2-methyl-1-morpholin-4-ylpropylidene)carbamate is sourced from PubChem (CID 142228112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).