1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride

C19H36ClN3O3 — CID 120888136

IUPAC1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2CCCN(C(=O)C(C)(C)C)C2)CCNCC1.Cl
InChIInChI=1S/C19H35N3O3.ClH/c1-18(2,3)17(24)22-11-5-6-15(12-22)16(23)21-13-19(14-25-4)7-9-20-10-8-19;/h15,20H,5-14H2,1-4H3,(H,21,23);1H
InChIKeyVNUXSPCBEUYLEQ-UHFFFAOYSA-N
MW389.97 g/mol
LogP1.83
Rot. Bonds5

About 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride

1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 120888136) has the molecular formula C19H36ClN3O3 and a molecular weight of 389.97 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID120888136
Molecular FormulaC19H36ClN3O3
Molecular Weight389.97 g/mol
Exact Mass389.24
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2CCCN(C(=O)C(C)(C)C)C2)CCNCC1.Cl
InChIInChI=1S/C19H35N3O3.ClH/c1-18(2,3)17(24)22-11-5-6-15(12-22)16(23)21-13-19(14-25-4)7-9-20-10-8-19;/h15,20H,5-14H2,1-4H3,(H,21,23);1H
InChIKeyVNUXSPCBEUYLEQ-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 120891848
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120887186
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 120888645
1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
CID 47987115
N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120889512
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120891396
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120888824
1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120946337
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120891835
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride (CID 120888136) is 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride is COCC1(CNC(=O)C2CCCN(C(=O)C(C)(C)C)C2)CCNCC1.Cl.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is VNUXSPCBEUYLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3.ClH/c1-18(2,3)17(24)22-11-5-6-15(12-22)16(23)21-13-19(14-25-4)7-9-20-10-8-19;/h15,20H,5-14H2,1-4H3,(H,21,23);1H.
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride?
1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120888136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).