N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide

C17H32N4O3 — CID 120578067

IUPACN-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C17H32N4O3/c1-13(2)11-16(23)19-9-7-17(24)21-10-4-3-5-14(21)12-20-15(22)6-8-18/h13-14H,3-12,18H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUEOOECGTBZVKEE-UHFFFAOYSA-N
MW340.47 g/mol
LogP0.38
Rot. Bonds9

About N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide

N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide (PubChem CID 120578067) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
PubChem CID120578067
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC NameN-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC(=O)N1CCCCC1CNC(=O)CCN
InChIInChI=1S/C17H32N4O3/c1-13(2)11-16(23)19-9-7-17(24)21-10-4-3-5-14(21)12-20-15(22)6-8-18/h13-14H,3-12,18H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUEOOECGTBZVKEE-UHFFFAOYSA-N
XLogP0.38
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578716
3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578118
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 122081320
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 120578831
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide?
The IUPAC name of N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide (CID 120578067) is N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide is CC(C)CC(=O)NCCC(=O)N1CCCCC1CNC(=O)CCN.
What is the InChIKey of N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide?
The InChIKey is UEOOECGTBZVKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-13(2)11-16(23)19-9-7-17(24)21-10-4-3-5-14(21)12-20-15(22)6-8-18/h13-14H,3-12,18H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide?
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide has a molecular weight of 340.47 g/mol, XLogP of 0.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide is sourced from PubChem (CID 120578067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).