N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide

C14H27N3O2 — CID 81043922

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)C(=O)N(C)C
InChIInChI=1S/C14H27N3O2/c1-10(12-6-5-7-15-9-12)8-13(18)16-11(2)14(19)17(3)4/h10-12,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyBBSFFXVIZXGUDH-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.61
Rot. Bonds5

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide (PubChem CID 81043922) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
PubChem CID81043922
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)C(=O)N(C)C
InChIInChI=1S/C14H27N3O2/c1-10(12-6-5-7-15-9-12)8-13(18)16-11(2)14(19)17(3)4/h10-12,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyBBSFFXVIZXGUDH-UHFFFAOYSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(ethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119690780
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 115738511
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674
N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 106188309
N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791054

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide (CID 81043922) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide is CC(NC(=O)CC(C)C1CCCNC1)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is BBSFFXVIZXGUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(12-6-5-7-15-9-12)8-13(18)16-11(2)14(19)17(3)4/h10-12,15H,5-9H2,1-4H3,(H,16,18).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81043922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).