1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride

C18H30Cl2N4O2 — CID 119853105

IUPAC1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-13(11-20-2)18(24)21-16-5-3-4-14(10-16)12-22-8-6-15(7-9-22)17(19)23;;/h3-5,10,13,15,20H,6-9,11-12H2,1-2H3,(H2,19,23)(H,21,24);2*1H
InChIKeyICYHGKPSTBMWSC-UHFFFAOYSA-N
MW405.37 g/mol
LogP2.02
Rot. Bonds7

About 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride

1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119853105) has the molecular formula C18H30Cl2N4O2 and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119853105
Molecular FormulaC18H30Cl2N4O2
Molecular Weight405.37 g/mol
Exact Mass404.17
IUPAC Name1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1.Cl.Cl
InChIInChI=1S/C18H28N4O2.2ClH/c1-13(11-20-2)18(24)21-16-5-3-4-14(10-16)12-22-8-6-15(7-9-22)17(19)23;;/h3-5,10,13,15,20H,6-9,11-12H2,1-2H3,(H2,19,23)(H,21,24);2*1H
InChIKeyICYHGKPSTBMWSC-UHFFFAOYSA-N
XLogP2.02
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853121
1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 60520535
1-[[3-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768192
1-[[3-[[(2R,3R)-3-propan-2-yloxolane-2-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 126801421
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide
CID 86782658
1-[[3-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 56504793
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
1-[[3-(3-piperidin-3-ylbutanoylamino)phenyl]methyl]piperidine-4-carboxamide
CID 119853096

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride (CID 119853105) is 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride is CNCC(C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1.Cl.Cl.
What is the InChIKey of 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is ICYHGKPSTBMWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.2ClH/c1-13(11-20-2)18(24)21-16-5-3-4-14(10-16)12-22-8-6-15(7-9-22)17(19)23;;/h3-5,10,13,15,20H,6-9,11-12H2,1-2H3,(H2,19,23)(H,21,24);2*1H.
What are the key properties of 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 405.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119853105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).