1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

C17H28Cl2N4O2 — CID 119877008

IUPAC1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(CN2CCCC(C(N)=O)C2)c1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-12(18)17(23)20-9-13-4-2-5-14(8-13)10-21-7-3-6-15(11-21)16(19)22;;/h2,4-5,8,12,15H,3,6-7,9-11,18H2,1H3,(H2,19,22)(H,20,23);2*1H/t12-,15?;;/m1../s1
InChIKeyJRQBTEGTPOTHJT-BMWMLVKTSA-N
MW391.34 g/mol
LogP1.19
Rot. Bonds6

About 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119877008) has the molecular formula C17H28Cl2N4O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119877008
Molecular FormulaC17H28Cl2N4O2
Molecular Weight391.34 g/mol
Exact Mass390.16
IUPAC Name1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCc1cccc(CN2CCCC(C(N)=O)C2)c1.Cl.Cl
InChIInChI=1S/C17H26N4O2.2ClH/c1-12(18)17(23)20-9-13-4-2-5-14(8-13)10-21-7-3-6-15(11-21)16(19)22;;/h2,4-5,8,12,15H,3,6-7,9-11,18H2,1H3,(H2,19,22)(H,20,23);2*1H/t12-,15?;;/m1../s1
InChIKeyJRQBTEGTPOTHJT-BMWMLVKTSA-N
XLogP1.19
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
1-[[3-[[[2-(cyclopentanecarbonylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900740
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[[(4-methylsulfanylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900668
1-[[3-[(prop-2-enoxycarbamoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 166236592
1-[[3-[[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 111109672
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 120636131
1-[[3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125805
3-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120502898
1-[[3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 111759508

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (CID 119877008) is 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is C[C@@H](N)C(=O)NCc1cccc(CN2CCCC(C(N)=O)C2)c1.Cl.Cl.
What is the InChIKey of 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is JRQBTEGTPOTHJT-BMWMLVKTSA-N. The full InChI is InChI=1S/C17H26N4O2.2ClH/c1-12(18)17(23)20-9-13-4-2-5-14(8-13)10-21-7-3-6-15(11-21)16(19)22;;/h2,4-5,8,12,15H,3,6-7,9-11,18H2,1H3,(H2,19,22)(H,20,23);2*1H/t12-,15?;;/m1../s1.
What are the key properties of 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 391.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119877008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).