1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one

C14H29N3O — CID 60849367

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one
SMILESCC(C)NCCCC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)15-9-5-6-14(18)17-10-7-13(8-11-17)16(3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyZGACWGSVAYYVKS-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.32
Rot. Bonds6

About 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one

1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one (PubChem CID 60849367) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one
PubChem CID60849367
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one
SMILESCC(C)NCCCC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)15-9-5-6-14(18)17-10-7-13(8-11-17)16(3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyZGACWGSVAYYVKS-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylpiperidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 62086138
4-(propan-2-ylamino)-1-thiomorpholin-4-ylbutan-1-one
CID 60851819
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
CID 60947455
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
ethyl 4-[4-(propan-2-ylamino)butanoyl]piperazine-1-carboxylate
CID 61041311
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
tris(1-[4-(dimethylamino)piperidin-1-yl]butane-1,3-dione);iron(3+)
CID 53467781
4-(propan-2-ylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
CID 102743692
1-(3,4-dimethylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 63633329

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one (CID 60849367) is 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one is CC(C)NCCCC(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one?
The InChIKey is ZGACWGSVAYYVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)15-9-5-6-14(18)17-10-7-13(8-11-17)16(3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one?
1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-4-(propan-2-ylamino)butan-1-one is sourced from PubChem (CID 60849367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).