2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide

C16H33N3O — CID 115432234

IUPAC2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide
SMILESCCCN1CCC(N(C)C(=O)C(CC)(CC)CN)CC1
InChIInChI=1S/C16H33N3O/c1-5-10-19-11-8-14(9-12-19)18(4)15(20)16(6-2,7-3)13-17/h14H,5-13,17H2,1-4H3
InChIKeyBZVKQGHBVATHOG-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.08
Rot. Bonds7

About 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide

2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide (PubChem CID 115432234) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide
PubChem CID115432234
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide
SMILESCCCN1CCC(N(C)C(=O)C(CC)(CC)CN)CC1
InChIInChI=1S/C16H33N3O/c1-5-10-19-11-8-14(9-12-19)18(4)15(20)16(6-2,7-3)13-17/h14H,5-13,17H2,1-4H3
InChIKeyBZVKQGHBVATHOG-UHFFFAOYSA-N
XLogP2.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)butanamide
CID 79805082
N,2,2-trimethyl-N-(1-propylpiperidin-4-yl)propanamide
CID 64590731
2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide
CID 125118083
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
3-[methyl-(1-propylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62230268
(2R)-2-amino-N,4-dimethyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 93469457
N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
CID 178115715
N-(1-butylpiperidin-4-yl)-N-methylacetamide
CID 70802066
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 54916159
3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139109

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide (CID 115432234) is 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide is CCCN1CCC(N(C)C(=O)C(CC)(CC)CN)CC1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide?
The InChIKey is BZVKQGHBVATHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-10-19-11-8-14(9-12-19)18(4)15(20)16(6-2,7-3)13-17/h14H,5-13,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide?
2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide has a molecular weight of 283.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide is sourced from PubChem (CID 115432234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).