3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide

C22H36N4O4 — CID 166220958

IUPAC3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)C2(C(=O)N3CCCC(CCC(N)=O)C3)CCC2)C1
InChIInChI=1S/C22H36N4O4/c23-18(27)8-6-16-4-1-12-25(14-16)20(29)22(10-3-11-22)21(30)26-13-2-5-17(15-26)7-9-19(24)28/h16-17H,1-15H2,(H2,23,27)(H2,24,28)
InChIKeyNDLHOTVIFHLPFA-UHFFFAOYSA-N
MW420.55 g/mol
LogP1.16
Rot. Bonds8

About 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide

3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide (PubChem CID 166220958) has the molecular formula C22H36N4O4 and a molecular weight of 420.55 g/mol. Its IUPAC name is 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide
PubChem CID166220958
Molecular FormulaC22H36N4O4
Molecular Weight420.55 g/mol
Exact Mass420.27
IUPAC Name3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)C2(C(=O)N3CCCC(CCC(N)=O)C3)CCC2)C1
InChIInChI=1S/C22H36N4O4/c23-18(27)8-6-16-4-1-12-25(14-16)20(29)22(10-3-11-22)21(30)26-13-2-5-17(15-26)7-9-19(24)28/h16-17H,1-15H2,(H2,23,27)(H2,24,28)
InChIKeyNDLHOTVIFHLPFA-UHFFFAOYSA-N
XLogP1.16
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[1-[1-(aminomethyl)cyclobutanecarbonyl]piperidin-3-yl]propanoic acid
CID 115448478
1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]cycloheptane-1-carbothioamide
CID 107227387
1-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80589779
3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 75483564
3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide
CID 119758308
3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide
CID 124592205
3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119945100
N'-hydroxy-1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboximidamide
CID 106588198
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
3-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]propanamide
CID 120928873
3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
CID 124701646

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide (CID 166220958) is 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide is NC(=O)CCC1CCCN(C(=O)C2(C(=O)N3CCCC(CCC(N)=O)C3)CCC2)C1.
What is the InChIKey of 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide?
The InChIKey is NDLHOTVIFHLPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O4/c23-18(27)8-6-16-4-1-12-25(14-16)20(29)22(10-3-11-22)21(30)26-13-2-5-17(15-26)7-9-19(24)28/h16-17H,1-15H2,(H2,23,27)(H2,24,28).
What are the key properties of 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide?
3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide has a molecular weight of 420.55 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[3-(3-amino-3-oxopropyl)piperidine-1-carbonyl]cyclobutanecarbonyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 166220958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).