N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide

C17H33N3O2 — CID 119876468

IUPACN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCN1CCOCC1(C)C)C1CCNCC1
InChIInChI=1S/C17H33N3O2/c1-14(15-4-6-18-7-5-15)12-16(21)19-8-9-20-10-11-22-13-17(20,2)3/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyPHVUNLPMCZHJFG-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.24
Rot. Bonds6

About N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119876468) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119876468
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCCN1CCOCC1(C)C)C1CCNCC1
InChIInChI=1S/C17H33N3O2/c1-14(15-4-6-18-7-5-15)12-16(21)19-8-9-20-10-11-22-13-17(20,2)3/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyPHVUNLPMCZHJFG-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868921
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119869028
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120646176
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119876472
3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503703
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
(2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120635653
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide (CID 119876468) is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCCN1CCOCC1(C)C)C1CCNCC1.
What is the InChIKey of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is PHVUNLPMCZHJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14(15-4-6-18-7-5-15)12-16(21)19-8-9-20-10-11-22-13-17(20,2)3/h14-15,18H,4-13H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 311.47 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119876468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).