N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide

C19H32F2N4O2 — CID 154669971

IUPACN-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CN2CCC3(C2)CN(C(C)C)C3)CC1(F)F
InChIInChI=1S/C19H32F2N4O2/c1-4-16(26)22-15-5-7-24(13-19(15,20)21)17(27)9-23-8-6-18(10-23)11-25(12-18)14(2)3/h14-15H,4-13H2,1-3H3,(H,22,26)
InChIKeyNOBVKQCQCKKEIP-UHFFFAOYSA-N
MW386.49 g/mol
LogP1.16
Rot. Bonds5

About N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide

N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide (PubChem CID 154669971) has the molecular formula C19H32F2N4O2 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide
PubChem CID154669971
Molecular FormulaC19H32F2N4O2
Molecular Weight386.49 g/mol
Exact Mass386.25
IUPAC NameN-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C(=O)CN2CCC3(C2)CN(C(C)C)C3)CC1(F)F
InChIInChI=1S/C19H32F2N4O2/c1-4-16(26)22-15-5-7-24(13-19(15,20)21)17(27)9-23-8-6-18(10-23)11-25(12-18)14(2)3/h14-15H,4-13H2,1-3H3,(H,22,26)
InChIKeyNOBVKQCQCKKEIP-UHFFFAOYSA-N
XLogP1.16
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide (CID 154669971) is N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C(=O)CN2CCC3(C2)CN(C(C)C)C3)CC1(F)F.
What is the InChIKey of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide?
The InChIKey is NOBVKQCQCKKEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2N4O2/c1-4-16(26)22-15-5-7-24(13-19(15,20)21)17(27)9-23-8-6-18(10-23)11-25(12-18)14(2)3/h14-15H,4-13H2,1-3H3,(H,22,26).
What are the key properties of N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide?
N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide has a molecular weight of 386.49 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 154669971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).