(2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride

C15H31Cl2N3O2 — CID 119882208

IUPAC(2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride
SMILESCOC1CCN(C2(CNC(=O)[C@@H](C)N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-12(16)14(19)17-11-15(7-3-4-8-15)18-9-5-13(20-2)6-10-18;;/h12-13H,3-11,16H2,1-2H3,(H,17,19);2*1H/t12-;;/m1../s1
InChIKeyAQNUJKRGVRDUJK-CURYUGHLSA-N
MW356.34 g/mol
LogP1.72
Rot. Bonds5

About (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride

(2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride (PubChem CID 119882208) has the molecular formula C15H31Cl2N3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride
PubChem CID119882208
Molecular FormulaC15H31Cl2N3O2
Molecular Weight356.34 g/mol
Exact Mass355.18
IUPAC Name(2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride
SMILESCOC1CCN(C2(CNC(=O)[C@@H](C)N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-12(16)14(19)17-11-15(7-3-4-8-15)18-9-5-13(20-2)6-10-18;;/h12-13H,3-11,16H2,1-2H3,(H,17,19);2*1H/t12-;;/m1../s1
InChIKeyAQNUJKRGVRDUJK-CURYUGHLSA-N
XLogP1.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
CID 119903533
2-amino-3-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 120983514
(2S)-2-amino-N-[(4-methoxycyclohexyl)methyl]propanamide
CID 119327659
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
4-cyclopropyl-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-N'-methyl-3-oxopiperazine-1-carboximidamide
CID 119156483
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
CID 119887110
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]thiourea
CID 146083266
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide
CID 154909466
(2R)-2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798136
2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride (CID 119882208) is (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride is COC1CCN(C2(CNC(=O)[C@@H](C)N)CCCC2)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride?
The InChIKey is AQNUJKRGVRDUJK-CURYUGHLSA-N. The full InChI is InChI=1S/C15H29N3O2.2ClH/c1-12(16)14(19)17-11-15(7-3-4-8-15)18-9-5-13(20-2)6-10-18;;/h12-13H,3-11,16H2,1-2H3,(H,17,19);2*1H/t12-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119882208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).