N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide

C15H29N3O2 — CID 95188582

IUPACN-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide
SMILESCN1CCC[C@@H](CCNC(=O)CCN2CCCCO2)C1
InChIInChI=1S/C15H29N3O2/c1-17-9-4-5-14(13-17)6-8-16-15(19)7-11-18-10-2-3-12-20-18/h14H,2-13H2,1H3,(H,16,19)/t14-/m0/s1
InChIKeyUSHVKAUZTDXSHC-AWEZNQCLSA-N
MW283.42 g/mol
LogP1.25
Rot. Bonds6

About N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide

N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide (PubChem CID 95188582) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide
PubChem CID95188582
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide
SMILESCN1CCC[C@@H](CCNC(=O)CCN2CCCCO2)C1
InChIInChI=1S/C15H29N3O2/c1-17-9-4-5-14(13-17)6-8-16-15(19)7-11-18-10-2-3-12-20-18/h14H,2-13H2,1H3,(H,16,19)/t14-/m0/s1
InChIKeyUSHVKAUZTDXSHC-AWEZNQCLSA-N
XLogP1.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide
CID 56714335
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 95207648
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
N-[2-(1-methylpiperidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159602
2-amino-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115152765
(E)-4-[2-(1-methylpiperidin-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 115177299
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
CID 62659462
3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837529
ethyl 2-[2-(1-methylpiperidin-3-yl)ethylamino]-2-oxoacetate
CID 115142076
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide?
The IUPAC name of N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide (CID 95188582) is N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide.
What is the SMILES notation for N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide?
The canonical SMILES for N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide is CN1CCC[C@@H](CCNC(=O)CCN2CCCCO2)C1.
What is the InChIKey of N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide?
The InChIKey is USHVKAUZTDXSHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-17-9-4-5-14(13-17)6-8-16-15(19)7-11-18-10-2-3-12-20-18/h14H,2-13H2,1H3,(H,16,19)/t14-/m0/s1.
What are the key properties of N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide?
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide has a molecular weight of 283.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-3-(oxazinan-2-yl)propanamide is sourced from PubChem (CID 95188582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).