N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

C16H31N3O3 — CID 120646176

IUPACN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCN2CCOCC2(C)C)CCNCC1
InChIInChI=1S/C16H31N3O3/c1-15(2)12-22-11-10-19(15)9-8-18-14(20)16(13-21-3)4-6-17-7-5-16/h17H,4-13H2,1-3H3,(H,18,20)
InChIKeyPHMDSKFLWVBXOD-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.23
Rot. Bonds6

About N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120646176) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120646176
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCN2CCOCC2(C)C)CCNCC1
InChIInChI=1S/C16H31N3O3/c1-15(2)12-22-11-10-19(15)9-8-18-14(20)16(13-21-3)4-6-17-7-5-16/h17H,4-13H2,1-3H3,(H,18,20)
InChIKeyPHMDSKFLWVBXOD-UHFFFAOYSA-N
XLogP0.23
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119876472
1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119876411
4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
4-(methoxymethyl)-N-(2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 120642361
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
4-(methoxymethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 120642550
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120633424
methyl 2-[2-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetate
CID 120631431
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
N-[3-(azepan-1-yl)-3-oxopropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120629091
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119876424

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120646176) is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCCN2CCOCC2(C)C)CCNCC1.
What is the InChIKey of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is PHMDSKFLWVBXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-15(2)12-22-11-10-19(15)9-8-18-14(20)16(13-21-3)4-6-17-7-5-16/h17H,4-13H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120646176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).