2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide

C14H29N3O — CID 107163556

IUPAC2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-5-8-15-13(18)12(2)16-11-14(3)6-9-17(4)10-7-14/h12,16H,5-11H2,1-4H3,(H,15,18)
InChIKeyNHSFTFFQQDGKEQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds6

About 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide

2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide (PubChem CID 107163556) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
PubChem CID107163556
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-5-8-15-13(18)12(2)16-11-14(3)6-9-17(4)10-7-14/h12,16H,5-11H2,1-4H3,(H,15,18)
InChIKeyNHSFTFFQQDGKEQ-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methoxypropyl)propanamide
CID 107163797
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
2-[(1-ethylcyclobutyl)methylamino]-N-propylpropanamide
CID 103771878
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
CID 107163692
3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729
2-[(1-methylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103724720
4-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 107163980
(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
CID 107163870
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide (CID 107163556) is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCC1(C)CCN(C)CC1.
What is the InChIKey of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide?
The InChIKey is NHSFTFFQQDGKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-8-15-13(18)12(2)16-11-14(3)6-9-17(4)10-7-14/h12,16H,5-11H2,1-4H3,(H,15,18).
What are the key properties of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide?
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 107163556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).