N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide

C14H29N3O — CID 62658117

IUPACN,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCC1CCCN(C)C1
InChIInChI=1S/C14H29N3O/c1-4-17(5-2)14(18)8-9-15-11-13-7-6-10-16(3)12-13/h13,15H,4-12H2,1-3H3
InChIKeyFVYSLHKEKBXLQU-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.18
Rot. Bonds7

About N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide

N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide (PubChem CID 62658117) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide
PubChem CID62658117
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCC1CCCN(C)C1
InChIInChI=1S/C14H29N3O/c1-4-17(5-2)14(18)8-9-15-11-13-7-6-10-16(3)12-13/h13,15H,4-12H2,1-3H3
InChIKeyFVYSLHKEKBXLQU-UHFFFAOYSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.18
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

3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
CID 62659462
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
tert-butyl 3-[(1-methylpiperidin-3-yl)methylamino]propanoate
CID 103244424
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
N-[(1-methylpiperidin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173706
N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
CID 113225012

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide (CID 62658117) is N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide is CCN(CC)C(=O)CCNCC1CCCN(C)C1.
What is the InChIKey of N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide?
The InChIKey is FVYSLHKEKBXLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-17(5-2)14(18)8-9-15-11-13-7-6-10-16(3)12-13/h13,15H,4-12H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide?
N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide is sourced from PubChem (CID 62658117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).