N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide

C16H30F2N4O — CID 154671115

IUPACN-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCN2CCN(CC)CC2)CC1(F)F
InChIInChI=1S/C16H30F2N4O/c1-3-15(23)19-14-5-6-22(13-16(14,17)18)12-11-21-9-7-20(4-2)8-10-21/h14H,3-13H2,1-2H3,(H,19,23)
InChIKeyNVOURTXCQQYRQO-UHFFFAOYSA-N
MW332.44 g/mol
LogP0.86
Rot. Bonds6

About N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide

N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide (PubChem CID 154671115) has the molecular formula C16H30F2N4O and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide
PubChem CID154671115
Molecular FormulaC16H30F2N4O
Molecular Weight332.44 g/mol
Exact Mass332.24
IUPAC NameN-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(CCN2CCN(CC)CC2)CC1(F)F
InChIInChI=1S/C16H30F2N4O/c1-3-15(23)19-14-5-6-22(13-16(14,17)18)12-11-21-9-7-20(4-2)8-10-21/h14H,3-13H2,1-2H3,(H,19,23)
InChIKeyNVOURTXCQQYRQO-UHFFFAOYSA-N
XLogP0.86
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
2-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 51079646
3-(Piperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75450947
2-[3-(4,4-difluoropiperidin-1-yl)propyl-methylamino]-N-propan-2-ylacetamide
CID 132390947
2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide
CID 60707591
N-(1-ethylpiperidin-3-yl)-2,2,2-trifluoroacetamide
CID 62726929
2,2,3,3,3-pentafluoro-N-(1-propylpiperidin-4-yl)propanamide
CID 108094169
2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide
CID 21059953
(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(trifluoromethylamino)propan-1-one
CID 21060519

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide?
The IUPAC name of N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide (CID 154671115) is N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide is CCC(=O)NC1CCN(CCN2CCN(CC)CC2)CC1(F)F.
What is the InChIKey of N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide?
The InChIKey is NVOURTXCQQYRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N4O/c1-3-15(23)19-14-5-6-22(13-16(14,17)18)12-11-21-9-7-20(4-2)8-10-21/h14H,3-13H2,1-2H3,(H,19,23).
What are the key properties of N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide?
N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide has a molecular weight of 332.44 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide is sourced from PubChem (CID 154671115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).