2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide

C14H28N2O — CID 94119599

IUPAC2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
SMILESC[C@@H]1CCCN(CCCNC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O/c1-12-7-5-9-16(11-12)10-6-8-15-13(17)14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)/t12-/m1/s1
InChIKeyMPVQRFXOJFBXPC-GFCCVEGCSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds4

About 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide

2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide (PubChem CID 94119599) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
PubChem CID94119599
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
SMILESC[C@@H]1CCCN(CCCNC(=O)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O/c1-12-7-5-9-16(11-12)10-6-8-15-13(17)14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)/t12-/m1/s1
InChIKeyMPVQRFXOJFBXPC-GFCCVEGCSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119852698
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
1-tert-butyl-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 110964985
(2S)-2-amino-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]pentanamide
CID 126505031
tert-butyl N-[2-[[N'-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885562
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857
1-heptyl-3-methylpiperidine;methanesulfonic acid
CID 175583555
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide (CID 94119599) is 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide is C[C@@H]1CCCN(CCCNC(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide?
The InChIKey is MPVQRFXOJFBXPC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-7-5-9-16(11-12)10-6-8-15-13(17)14(2,3)4/h12H,5-11H2,1-4H3,(H,15,17)/t12-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide?
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide is sourced from PubChem (CID 94119599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).