1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone

C10H20N2O — CID 66569291

IUPAC1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](NC(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8(2)11-10-5-4-6-12(7-10)9(3)13/h8,10-11H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyMDHFVVCGPWZZRH-SNVBAGLBSA-N
MW184.28 g/mol
LogP1.00
Rot. Bonds2

About 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone

1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone (PubChem CID 66569291) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
PubChem CID66569291
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](NC(C)C)C1
InChIInChI=1S/C10H20N2O/c1-8(2)11-10-5-4-6-12(7-10)9(3)13/h8,10-11H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyMDHFVVCGPWZZRH-SNVBAGLBSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid
CID 67330926
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
1-[3-(cyclopropylamino)piperidin-1-yl]ethanone
CID 66569302
1-[(3R)-3-hydrazinylpiperidin-1-yl]ethanone
CID 129389074
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
2-(1-acetylpiperidin-3-yl)-2-hydroxyacetic acid
CID 131491204
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone
CID 115893969

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone (CID 66569291) is 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](NC(C)C)C1.
What is the InChIKey of 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone?
The InChIKey is MDHFVVCGPWZZRH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)11-10-5-4-6-12(7-10)9(3)13/h8,10-11H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone?
1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone has a molecular weight of 184.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 66569291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).