4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride

C14H31Cl2N3O — CID 120564985

IUPAC4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NC(C)CN1CCCC(C)C1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-11-5-4-8-17(9-11)10-13(3)16-14(18)7-6-12(2)15;;/h11-13H,4-10,15H2,1-3H3,(H,16,18);2*1H
InChIKeySODPBHRDXWPVRO-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.19
Rot. Bonds6

About 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride

4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride (PubChem CID 120564985) has the molecular formula C14H31Cl2N3O and a molecular weight of 328.33 g/mol. Its IUPAC name is 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
PubChem CID120564985
Molecular FormulaC14H31Cl2N3O
Molecular Weight328.33 g/mol
Exact Mass327.18
IUPAC Name4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)NC(C)CN1CCCC(C)C1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-11-5-4-8-17(9-11)10-13(3)16-14(18)7-6-12(2)15;;/h11-13H,4-10,15H2,1-3H3,(H,16,18);2*1H
InChIKeySODPBHRDXWPVRO-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]heptanamide;dihydrochloride
CID 119863212
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577460
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612
1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110933354

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride (CID 120564985) is 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride is CC(N)CCC(=O)NC(C)CN1CCCC(C)C1.Cl.Cl.
What is the InChIKey of 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride?
The InChIKey is SODPBHRDXWPVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.2ClH/c1-11-5-4-8-17(9-11)10-13(3)16-14(18)7-6-12(2)15;;/h11-13H,4-10,15H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride?
4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride has a molecular weight of 328.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).