N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide

C15H31N3O — CID 63849354

IUPACN,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
SMILESCC(C)CNCC1CCCN(CCC(=O)N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-13(2)10-16-11-14-6-5-8-18(12-14)9-7-15(19)17(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyNHSWXAPYLBRUNP-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.42
Rot. Bonds7

About N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide

N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide (PubChem CID 63849354) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
PubChem CID63849354
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
SMILESCC(C)CNCC1CCCN(CCC(=O)N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-13(2)10-16-11-14-6-5-8-18(12-14)9-7-15(19)17(3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyNHSWXAPYLBRUNP-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoate
CID 63849711
3-[3-(aminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 60962395
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 106725817
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 65175422
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
N-[(1-hept-6-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 107010261
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylbutanamide
CID 63847458
N-[(1-but-2-enylpiperidin-3-yl)methyl]-2-methylpropan-1-amine
CID 77010187
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
3-(3-formylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 62654927
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide (CID 63849354) is N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide is CC(C)CNCC1CCCN(CCC(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
The InChIKey is NHSWXAPYLBRUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)10-16-11-14-6-5-8-18(12-14)9-7-15(19)17(3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63849354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).