N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide

C15H31N3O — CID 62210092

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide
SMILESCC(C)C(CN(C)C)NC(=O)CCC1CCNCC1
InChIInChI=1S/C15H31N3O/c1-12(2)14(11-18(3)4)17-15(19)6-5-13-7-9-16-10-8-13/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyDWSPSEAVZZGKKB-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.47
Rot. Bonds7

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide (PubChem CID 62210092) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide
PubChem CID62210092
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide
SMILESCC(C)C(CN(C)C)NC(=O)CCC1CCNCC1
InChIInChI=1S/C15H31N3O/c1-12(2)14(11-18(3)4)17-15(19)6-5-13-7-9-16-10-8-13/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyDWSPSEAVZZGKKB-UHFFFAOYSA-N
XLogP1.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide (CID 62210092) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide is CC(C)C(CN(C)C)NC(=O)CCC1CCNCC1.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide?
The InChIKey is DWSPSEAVZZGKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)14(11-18(3)4)17-15(19)6-5-13-7-9-16-10-8-13/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62210092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).