N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride

C18H34ClN3O3 — CID 120889512

IUPACN-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCOCC1(CNC(=O)[C@H](C)NC(=O)C2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C18H33N3O3.ClH/c1-14(21-17(23)15-6-4-3-5-7-15)16(22)20-12-18(13-24-2)8-10-19-11-9-18;/h14-15,19H,3-13H2,1-2H3,(H,20,22)(H,21,23);1H/t14-;/m0./s1
InChIKeyXKFJBADDZPKIIC-UQKRIMTDSA-N
MW375.94 g/mol
LogP1.63
Rot. Bonds7

About N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 120889512) has the molecular formula C18H34ClN3O3 and a molecular weight of 375.94 g/mol. Its IUPAC name is N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID120889512
Molecular FormulaC18H34ClN3O3
Molecular Weight375.94 g/mol
Exact Mass375.23
IUPAC NameN-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCOCC1(CNC(=O)[C@H](C)NC(=O)C2CCCCC2)CCNCC1.Cl
InChIInChI=1S/C18H33N3O3.ClH/c1-14(21-17(23)15-6-4-3-5-7-15)16(22)20-12-18(13-24-2)8-10-19-11-9-18;/h14-15,19H,3-13H2,1-2H3,(H,20,22)(H,21,23);1H/t14-;/m0./s1
InChIKeyXKFJBADDZPKIIC-UQKRIMTDSA-N
XLogP1.63
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120891396
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 120891848
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 120891952
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
(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 120890091
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
3-(cyclopentanecarbonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 120887829
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 120889512) is N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride is COCC1(CNC(=O)[C@H](C)NC(=O)C2CCCCC2)CCNCC1.Cl.
What is the InChIKey of N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is XKFJBADDZPKIIC-UQKRIMTDSA-N. The full InChI is InChI=1S/C18H33N3O3.ClH/c1-14(21-17(23)15-6-4-3-5-7-15)16(22)20-12-18(13-24-2)8-10-19-11-9-18;/h14-15,19H,3-13H2,1-2H3,(H,20,22)(H,21,23);1H/t14-;/m0./s1.
What are the key properties of N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 375.94 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120889512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).