3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide

C15H31N3O — CID 114515771

IUPAC3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
SMILESCN1CCC(CCNC(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)17-10-6-14(19)16-9-5-13-7-11-18(4)12-8-13/h13,17H,5-12H2,1-4H3,(H,16,19)
InChIKeyKBGOWMSCTNSWRW-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds6

About 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide

3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide (PubChem CID 114515771) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
PubChem CID114515771
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
SMILESCN1CCC(CCNC(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-15(2,3)17-10-6-14(19)16-9-5-13-7-11-18(4)12-8-13/h13,17H,5-12H2,1-4H3,(H,16,19)
InChIKeyKBGOWMSCTNSWRW-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 113267487
3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide
CID 114515744
3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide (CID 114515771) is 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide is CN1CCC(CCNC(=O)CCNC(C)(C)C)CC1.
What is the InChIKey of 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
The InChIKey is KBGOWMSCTNSWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,3)17-10-6-14(19)16-9-5-13-7-11-18(4)12-8-13/h13,17H,5-12H2,1-4H3,(H,16,19).
What are the key properties of 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide?
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide is sourced from PubChem (CID 114515771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).