molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide

C20H40N4O — CID 154671501

IUPACmolecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1CC12CCN(CCN1CCN(C(C)C)CC1)CC2.[H][H]
InChIInChI=1S/C20H38N4O.H2/c1-4-19(25)21-16-18-15-20(18)5-7-22(8-6-20)9-10-23-11-13-24(14-12-23)17(2)3;/h17-18H,4-16H2,1-3H3,(H,21,25);1H
InChIKeyOADIHXDVNFSGQI-UHFFFAOYSA-N
MW352.57 g/mol
LogP1.89
Rot. Bonds7

About molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide

molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide (PubChem CID 154671501) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide
PubChem CID154671501
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC Namemolecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1CC12CCN(CCN1CCN(C(C)C)CC1)CC2.[H][H]
InChIInChI=1S/C20H38N4O.H2/c1-4-19(25)21-16-18-15-20(18)5-7-22(8-6-20)9-10-23-11-13-24(14-12-23)17(2)3;/h17-18H,4-16H2,1-3H3,(H,21,25);1H
InChIKeyOADIHXDVNFSGQI-UHFFFAOYSA-N
XLogP1.89
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide
CID 170231211
ethane;N-[[6-[2-(4-methylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]butanamide
CID 166466919
2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide
CID 164715698
N-[[7-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]acetamide
CID 154670851
N-[[2-[2-(4-ethylpiperazin-1-yl)ethyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-methylpropanamide;molecular hydrogen
CID 154670951
2-methyl-N-(spiro[2.5]octan-2-ylmethyl)propanamide
CID 162496164
(1E,3E)-4-(3,3-difluoropyrrolidin-1-yl)-1-N'-[[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]methyl]buta-1,3-diene-1,1,4-triamine
CID 174352529
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
N-[[7-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylbutanamide
CID 166466698
2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
CID 154670547
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 63913213
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 130138088

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide?
The IUPAC name of molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide (CID 154671501) is molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide.
What is the SMILES notation for molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide?
The canonical SMILES for molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide is CCC(=O)NCC1CC12CCN(CCN1CCN(C(C)C)CC1)CC2.[H][H].
What is the InChIKey of molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide?
The InChIKey is OADIHXDVNFSGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O.H2/c1-4-19(25)21-16-18-15-20(18)5-7-22(8-6-20)9-10-23-11-13-24(14-12-23)17(2)3;/h17-18H,4-16H2,1-3H3,(H,21,25);1H.
What are the key properties of molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide?
molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide has a molecular weight of 352.57 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[[6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-6-azaspiro[2.5]octan-2-yl]methyl]propanamide is sourced from PubChem (CID 154671501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).