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

C17H35Cl2N3O2 — CID 119868921

IUPACN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCCN1CCOC(C)(C)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H33N3O2.2ClH/c1-14(15-4-6-18-7-5-15)12-16(21)19-8-9-20-10-11-22-17(2,3)13-20;;/h14-15,18H,4-13H2,1-3H3,(H,19,21);2*1H
InChIKeyNEFSCWFJVXAYRH-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.08
Rot. Bonds6

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

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119868921) has the molecular formula C17H35Cl2N3O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119868921
Molecular FormulaC17H35Cl2N3O2
Molecular Weight384.39 g/mol
Exact Mass383.21
IUPAC NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCCN1CCOC(C)(C)C1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H33N3O2.2ClH/c1-14(15-4-6-18-7-5-15)12-16(21)19-8-9-20-10-11-22-17(2,3)13-20;;/h14-15,18H,4-13H2,1-3H3,(H,19,21);2*1H
InChIKeyNEFSCWFJVXAYRH-UHFFFAOYSA-N
XLogP2.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119876468
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902308
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
N-(2-methyl-3-morpholin-4-ylpropyl)-3-piperidin-4-ylbutanamide
CID 119869028
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119868873
(2S)-2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-4-methylpentanamide
CID 119868946
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119782244
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119868921) is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NCCN1CCOC(C)(C)C1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is NEFSCWFJVXAYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.2ClH/c1-14(15-4-6-18-7-5-15)12-16(21)19-8-9-20-10-11-22-17(2,3)13-20;;/h14-15,18H,4-13H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 384.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119868921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).