N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C20H37ClN4O2 — CID 119920121

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1.Cl
InChIInChI=1S/C20H36N4O2.ClH/c1-21-18-8-5-11-23(14-18)15-19(25)22-17-9-12-24(13-10-17)20(26)16-6-3-2-4-7-16;/h16-18,21H,2-15H2,1H3,(H,22,25);1H
InChIKeyCRSCRPPJKFTASU-UHFFFAOYSA-N
MW401.00 g/mol
LogP1.78
Rot. Bonds5

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119920121) has the molecular formula C20H37ClN4O2 and a molecular weight of 401.00 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119920121
Molecular FormulaC20H37ClN4O2
Molecular Weight401.00 g/mol
Exact Mass400.26
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1.Cl
InChIInChI=1S/C20H36N4O2.ClH/c1-21-18-8-5-11-23(14-18)15-19(25)22-17-9-12-24(13-10-17)20(26)16-6-3-2-4-7-16;/h16-18,21H,2-15H2,1H3,(H,22,25);1H
InChIKeyCRSCRPPJKFTASU-UHFFFAOYSA-N
XLogP1.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.00
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
2-[3-(methylamino)piperidin-1-yl]-N-(oxan-4-yl)acetamide;hydrochloride
CID 119920439
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166605706
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
CID 119919525
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
N-[1-[2-(cyclopentylamino)-2-oxoethyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171335040
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 163352501
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119920121) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1.Cl.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is CRSCRPPJKFTASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2.ClH/c1-21-18-8-5-11-23(14-18)15-19(25)22-17-9-12-24(13-10-17)20(26)16-6-3-2-4-7-16;/h16-18,21H,2-15H2,1H3,(H,22,25);1H.
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 401.00 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119920121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).