5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide

C16H30N4O3 — CID 120578395

IUPAC5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
SMILESCN(C)C(=O)CCCC(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C16H30N4O3/c1-19(2)15(22)7-5-8-16(23)20-11-4-3-6-13(20)12-18-14(21)9-10-17/h13H,3-12,17H2,1-2H3,(H,18,21)
InChIKeySRUSHCMZWGAXMY-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.09
Rot. Bonds8

About 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide

5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide (PubChem CID 120578395) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
PubChem CID120578395
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
SMILESCN(C)C(=O)CCCC(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C16H30N4O3/c1-19(2)15(22)7-5-8-16(23)20-11-4-3-6-13(20)12-18-14(21)9-10-17/h13H,3-12,17H2,1-2H3,(H,18,21)
InChIKeySRUSHCMZWGAXMY-UHFFFAOYSA-N
XLogP0.09
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
3-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]propanamide;(E)-but-2-enedioic acid
CID 19778253
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
CID 120578067
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
CID 119313337
3-amino-N-[[1-[4-(4-fluorophenoxy)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579145
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide?
The IUPAC name of 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide (CID 120578395) is 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide.
What is the SMILES notation for 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide?
The canonical SMILES for 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide is CN(C)C(=O)CCCC(=O)N1CCCCC1CNC(=O)CCN.
What is the InChIKey of 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide?
The InChIKey is SRUSHCMZWGAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-19(2)15(22)7-5-8-16(23)20-11-4-3-6-13(20)12-18-14(21)9-10-17/h13H,3-12,17H2,1-2H3,(H,18,21).
What are the key properties of 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide?
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide has a molecular weight of 326.44 g/mol, XLogP of 0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide is sourced from PubChem (CID 120578395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).