1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea

C17H30N4O3 — CID 110821926

IUPAC1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCC(=O)N1CCC(C(=O)N2CCC(NC(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C17H30N4O3/c1-12(2)18-17(24)19-15-6-10-21(11-7-15)16(23)14-4-8-20(9-5-14)13(3)22/h12,14-15H,4-11H2,1-3H3,(H2,18,19,24)
InChIKeyRNRFVGTYKBNDJQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP0.94
Rot. Bonds3

About 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea

1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 110821926) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
PubChem CID110821926
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCC(=O)N1CCC(C(=O)N2CCC(NC(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C17H30N4O3/c1-12(2)18-17(24)19-15-6-10-21(11-7-15)16(23)14-4-8-20(9-5-14)13(3)22/h12,14-15H,4-11H2,1-3H3,(H2,18,19,24)
InChIKeyRNRFVGTYKBNDJQ-UHFFFAOYSA-N
XLogP0.94
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051729
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(propan-2-ylamino)propanamide
CID 60853818
2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 108563873
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
CID 110819716
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43711915
2-(butan-2-ylamino)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 60853761
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea
CID 86889681

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea (CID 110821926) is 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea is CC(=O)N1CCC(C(=O)N2CCC(NC(=O)NC(C)C)CC2)CC1.
What is the InChIKey of 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is RNRFVGTYKBNDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12(2)18-17(24)19-15-6-10-21(11-7-15)16(23)14-4-8-20(9-5-14)13(3)22/h12,14-15H,4-11H2,1-3H3,(H2,18,19,24).
What are the key properties of 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea?
1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 338.45 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 110821926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).