N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

C19H36ClN3O3 — CID 120891396

IUPACN-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCOCC1(CNC(=O)CC(C)NC(=O)C2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C19H35N3O3.ClH/c1-15(22-18(24)16-6-4-3-5-7-16)12-17(23)21-13-19(14-25-2)8-10-20-11-9-19;/h15-16,20H,3-14H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyCTMQETOOVINHAC-UHFFFAOYSA-N
MW389.97 g/mol
LogP2.02
Rot. Bonds8

About N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 120891396) has the molecular formula C19H36ClN3O3 and a molecular weight of 389.97 g/mol. Its IUPAC name is N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID120891396
Molecular FormulaC19H36ClN3O3
Molecular Weight389.97 g/mol
Exact Mass389.24
IUPAC NameN-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCOCC1(CNC(=O)CC(C)NC(=O)C2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C19H35N3O3.ClH/c1-15(22-18(24)16-6-4-3-5-7-16)12-17(23)21-13-19(14-25-2)8-10-20-11-9-19;/h15-16,20H,3-14H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyCTMQETOOVINHAC-UHFFFAOYSA-N
XLogP2.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride with MolForge

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Related Compounds

N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120889512
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111428746
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4,4-trimethylpentanamide
CID 120890413
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-cyclobutyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 114280566
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
1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 120888136
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 120891396) is N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is COCC1(CNC(=O)CC(C)NC(=O)C2CCCCC2)CCNCC1.Cl.
What is the InChIKey of N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is CTMQETOOVINHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3.ClH/c1-15(22-18(24)16-6-4-3-5-7-16)12-17(23)21-13-19(14-25-2)8-10-20-11-9-19;/h15-16,20H,3-14H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120891396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).