N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide

C18H34N4O2 — CID 96549596

IUPACN-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCCN(CCN2CCC[C@H](NC(=O)CC)C2)C1
InChIInChI=1S/C18H34N4O2/c1-3-17(23)19-15-7-5-9-21(13-15)11-12-22-10-6-8-16(14-22)20-18(24)4-2/h15-16H,3-14H2,1-2H3,(H,19,23)(H,20,24)/t15-,16-/m0/s1
InChIKeyJCGRMEHCWBGDMU-HOTGVXAUSA-N
MW338.50 g/mol
LogP0.97
Rot. Bonds7

About N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide

N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide (PubChem CID 96549596) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
PubChem CID96549596
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC NameN-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCCN(CCN2CCC[C@H](NC(=O)CC)C2)C1
InChIInChI=1S/C18H34N4O2/c1-3-17(23)19-15-7-5-9-21(13-15)11-12-22-10-6-8-16(14-22)20-18(24)4-2/h15-16H,3-14H2,1-2H3,(H,19,23)(H,20,24)/t15-,16-/m0/s1
InChIKeyJCGRMEHCWBGDMU-HOTGVXAUSA-N
XLogP0.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
CID 71933075
N-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-3-yl]propanamide
CID 120981335
N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
CID 100707416
[(3S)-1-propylpiperidin-3-yl]carbamic acid
CID 118936390
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
CID 64677785
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
N-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-3-yl]propanamide
CID 56510280
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide (CID 96549596) is N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide is CCC(=O)N[C@H]1CCCN(CCN2CCC[C@H](NC(=O)CC)C2)C1.
What is the InChIKey of N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide?
The InChIKey is JCGRMEHCWBGDMU-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-3-17(23)19-15-7-5-9-21(13-15)11-12-22-10-6-8-16(14-22)20-18(24)4-2/h15-16H,3-14H2,1-2H3,(H,19,23)(H,20,24)/t15-,16-/m0/s1.
What are the key properties of N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide?
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide has a molecular weight of 338.50 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 96549596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).