3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide

C18H34N4O2 — CID 122081320

IUPAC3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide
SMILESCC(CC(=O)N1CCCCC1CNC(=O)CCN)C1CCCNC1
InChIInChI=1S/C18H34N4O2/c1-14(15-5-4-9-20-12-15)11-18(24)22-10-3-2-6-16(22)13-21-17(23)7-8-19/h14-16,20H,2-13,19H2,1H3,(H,21,23)
InChIKeyVPOMBKVLDPVOJX-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.86
Rot. Bonds7

About 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide (PubChem CID 122081320) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide
PubChem CID122081320
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide
SMILESCC(CC(=O)N1CCCCC1CNC(=O)CCN)C1CCCNC1
InChIInChI=1S/C18H34N4O2/c1-14(15-5-4-9-20-12-15)11-18(24)22-10-3-2-6-16(22)13-21-17(23)7-8-19/h14-16,20H,2-13,19H2,1H3,(H,21,23)
InChIKeyVPOMBKVLDPVOJX-UHFFFAOYSA-N
XLogP0.86
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 81043659
3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578716
2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
CID 81043675
N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
CID 120578067
1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
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
N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide
CID 119761643
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide (CID 122081320) is 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide is CC(CC(=O)N1CCCCC1CNC(=O)CCN)C1CCCNC1.
What is the InChIKey of 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide?
The InChIKey is VPOMBKVLDPVOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-14(15-5-4-9-20-12-15)11-18(24)22-10-3-2-6-16(22)13-21-17(23)7-8-19/h14-16,20H,2-13,19H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide has a molecular weight of 338.50 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 122081320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).