N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride

C19H36Cl2N4O2 — CID 119876760

IUPACN-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride
SMILESCC1CCCC(NC(=O)CN2CCN(C(=O)[C@H]3CCCCN3)CC2)C1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-15-5-4-6-16(13-15)21-18(24)14-22-9-11-23(12-10-22)19(25)17-7-2-3-8-20-17;;/h15-17,20H,2-14H2,1H3,(H,21,24);2*1H/t15?,16?,17-;;/m1../s1
InChIKeyIYELAIHHDVXTNE-DJKPDUFESA-N
MW423.43 g/mol
LogP1.81
Rot. Bonds4

About N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride

N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119876760) has the molecular formula C19H36Cl2N4O2 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119876760
Molecular FormulaC19H36Cl2N4O2
Molecular Weight423.43 g/mol
Exact Mass422.22
IUPAC NameN-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride
SMILESCC1CCCC(NC(=O)CN2CCN(C(=O)[C@H]3CCCCN3)CC2)C1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-15-5-4-6-16(13-15)21-18(24)14-22-9-11-23(12-10-22)19(25)17-7-2-3-8-20-17;;/h15-17,20H,2-14H2,1H3,(H,21,24);2*1H/t15?,16?,17-;;/m1../s1
InChIKeyIYELAIHHDVXTNE-DJKPDUFESA-N
XLogP1.81
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 100896929
N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 60717609
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]acetamide
CID 95617402
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837819
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172388
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 95172391
1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851394
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 119876809
2-[4-(piperidine-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60940035
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172406

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride (CID 119876760) is N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride is CC1CCCC(NC(=O)CN2CCN(C(=O)[C@H]3CCCCN3)CC2)C1.Cl.Cl.
What is the InChIKey of N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is IYELAIHHDVXTNE-DJKPDUFESA-N. The full InChI is InChI=1S/C19H34N4O2.2ClH/c1-15-5-4-6-16(13-15)21-18(24)14-22-9-11-23(12-10-22)19(25)17-7-2-3-8-20-17;;/h15-17,20H,2-14H2,1H3,(H,21,24);2*1H/t15?,16?,17-;;/m1../s1.
What are the key properties of N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride?
N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 423.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119876760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).