N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride

C16H30ClN3O3 — CID 119761710

IUPACN-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)C2(OC)CCNCC2)C1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-3-5-14(20)18-13-6-4-11-19(12-13)15(21)16(22-2)7-9-17-10-8-16;/h13,17H,3-12H2,1-2H3,(H,18,20);1H
InChIKeyIORCXMCGWHFLIU-UHFFFAOYSA-N
MW347.89 g/mol
LogP1.08
Rot. Bonds5

About N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride

N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride (PubChem CID 119761710) has the molecular formula C16H30ClN3O3 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
PubChem CID119761710
Molecular FormulaC16H30ClN3O3
Molecular Weight347.89 g/mol
Exact Mass347.20
IUPAC NameN-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)C2(OC)CCNCC2)C1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-3-5-14(20)18-13-6-4-11-19(12-13)15(21)16(22-2)7-9-17-10-8-16;/h13,17H,3-12H2,1-2H3,(H,18,20);1H
InChIKeyIORCXMCGWHFLIU-UHFFFAOYSA-N
XLogP1.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 120929389
ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate
CID 63121976
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119881544
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanamide;hydrochloride
CID 119761692
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876665
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 119876809
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119803723
[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119894888
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride?
The IUPAC name of N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride (CID 119761710) is N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride.
What is the SMILES notation for N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride?
The canonical SMILES for N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride is CCCC(=O)NC1CCCN(C(=O)C2(OC)CCNCC2)C1.Cl.
What is the InChIKey of N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride?
The InChIKey is IORCXMCGWHFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3.ClH/c1-3-5-14(20)18-13-6-4-11-19(12-13)15(21)16(22-2)7-9-17-10-8-16;/h13,17H,3-12H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride?
N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 119761710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).